[(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine

C115H115Cl8IN14O16S6 — CID 160621410

About [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine

[(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine (PubChem CID 160621410) has the molecular formula C115H115Cl8IN14O16S6 and a molecular weight of 2552.20 g/mol. Its IUPAC name is [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine.

Molecular Properties

• Compound Name: [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine
• PubChem CID: 160621410
• Molecular Formula: C115H115Cl8IN14O16S6
• Molecular Weight: 2552.20 g/mol
• Exact Mass: 2546.35
• IUPAC Name: [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine
• SMILES: C[C@H]1C[C@H](N)C[C@@H]1CO.Cc1sc(C(=O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](C)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C=O)cc1[C@@H]1OCCc2ccc(Cl)cc21.Clc1ncncc1I
• InChI: InChI=1S/C26H28ClN3O3S.C25H27ClN4O6S2.C19H16Cl2N2O2S.C19H14Cl2N2O2S.C15H13ClO2S.C7H15NO.C4H2ClIN2/c1-14-7-19(8-17(14)12-31)30-26-22(11-28-13-29-26)24(32)23-10-20(15(2)34-23)25-21-9-18(27)4-3-16(21)5-6-33-25;1-13-18(24-19-7-16(26)3-2-14(19)4-5-35-24)9-22(37-13)23(32)20-10-28-12-29-25(20)30-17-6-15(21(31)8-17)11-36-38(27,33)34;2*1-10-13(18-14-6-12(20)3-2-11(14)4-5-25-18)7-16(26-10)17(24)15-8-22-9-23-19(15)21;1-9-13(7-12(8-17)19-9)15-14-6-11(16)3-2-10(14)4-5-18-15;1-5-2-7(8)3-6(5)4-9;5-4-3(6)1-7-2-8-4/h3-4,9-11,13-14,17,19,25,31H,5-8,12H2,1-2H3,(H,28,29,30);2-3,7,9-10,12,15,17,21,24,31H,4-6,8,11H2,1H3,(H2,27,33,34)(H,28,29,30);2-3,6-9,17-18,24H,4-5H2,1H3;2-3,6-9,18H,4-5H2,1H3;2-3,6-8,15H,4-5H2,1H3;5-7,9H,2-4,8H2,1H3;1-2H/t14-,17+,19-,25-;15-,17-,21+,24+;17?,18-;18-;15-;5-,6+,7-;/m010000./s1
• InChIKey: RGTCCGCPJHBFPI-FLXHUARMSA-N
• XLogP: 24.59
• TPSA: 443.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.20
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine?

The IUPAC name of [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine (CID 160621410) is [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine.

What is the SMILES notation for [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine?

The canonical SMILES for [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine is C[C@H]1C[C@H](N)C[C@@H]1CO.Cc1sc(C(=O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](C)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C(O)c2cncnc2Cl)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cc1sc(C=O)cc1[C@@H]1OCCc2ccc(Cl)cc21.Clc1ncncc1I.

What is the InChIKey of [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine?

The InChIKey is RGTCCGCPJHBFPI-FLXHUARMSA-N. The full InChI is InChI=1S/C26H28ClN3O3S.C25H27ClN4O6S2.C19H16Cl2N2O2S.C19H14Cl2N2O2S.C15H13ClO2S.C7H15NO.C4H2ClIN2/c1-14-7-19(8-17(14)12-31)30-26-22(11-28-13-29-26)24(32)23-10-20(15(2)34-23)25-21-9-18(27)4-3-16(21)5-6-33-25;1-13-18(24-19-7-16(26)3-2-14(19)4-5-35-24)9-22(37-13)23(32)20-10-28-12-29-25(20)30-17-6-15(21(31)8-17)11-36-38(27,33)34;2*1-10-13(18-14-6-12(20)3-2-11(14)4-5-25-18)7-16(26-10)17(24)15-8-22-9-23-19(15)21;1-9-13(7-12(8-17)19-9)15-14-6-11(16)3-2-10(14)4-5-18-15;1-5-2-7(8)3-6(5)4-9;5-4-3(6)1-7-2-8-4/h3-4,9-11,13-14,17,19,25,31H,5-8,12H2,1-2H3,(H,28,29,30);2-3,7,9-10,12,15,17,21,24,31H,4-6,8,11H2,1H3,(H2,27,33,34)(H,28,29,30);2-3,6-9,17-18,24H,4-5H2,1H3;2-3,6-9,18H,4-5H2,1H3;2-3,6-8,15H,4-5H2,1H3;5-7,9H,2-4,8H2,1H3;1-2H/t14-,17+,19-,25-;15-,17-,21+,24+;17?,18-;18-;15-;5-,6+,7-;/m010000./s1.

What are the key properties of [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine?

[(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine has a molecular weight of 2552.20 g/mol, XLogP of 24.59, 23 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,4S)-4-amino-2-methylcyclopentyl]methanol;4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbaldehyde;[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanol;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-(4-chloropyrimidin-5-yl)methanone;[4-[(1R)-7-chloro-3,4-dihydro-1H-isochromen-1-yl]-5-methylthiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;4-chloro-5-iodopyrimidine is sourced from PubChem (CID 160621410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).