[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane

C123H168BrCl4LaN27O14 — CID 159928280

About [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane

[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane (PubChem CID 159928280) has the molecular formula C123H168BrCl4LaN27O14 and a molecular weight of 2609.49 g/mol. Its IUPAC name is [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane.

Molecular Properties

• Compound Name: [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane
• PubChem CID: 159928280
• Molecular Formula: C123H168BrCl4LaN27O14
• Molecular Weight: 2609.49 g/mol
• Exact Mass: 2605.03
• IUPAC Name: [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1CCNCC1.CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c12.CCCC[C@H](N)CO.CCOC(=O)c1ccc(C)c(CBr)c1.CCOC(=O)c1ccc(C)c(Cn2ccc3nc(N)nc(Cl)c32)c1.Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cn1ccc2nc(N)nc(Cl)c21.Cc1ccc(CO)cc1Cn1ccc2nc(N)nc(Cl)c21.Nc1nc(Cl)c2c(n1)C=CC2.[La]
• InChI: InChI=1S/C30H45N7O3.C24H31ClN6O2.C17H17ClN4O2.C15H15ClN4O.C11H13BrO2.C9H18N2O2.C7H6ClN3.C6H15NO.C4H8O.La/c1-6-7-8-24(20-38)32-27-26-25(33-28(31)34-27)11-12-37(26)19-23-17-22(10-9-21(23)2)18-35-13-15-36(16-14-35)29(39)40-30(3,4)5;1-16-5-6-17(14-29-9-11-30(12-10-29)23(32)33-24(2,3)4)13-18(16)15-31-8-7-19-20(31)21(25)28-22(26)27-19;1-3-24-16(23)11-5-4-10(2)12(8-11)9-22-7-6-13-14(22)15(18)21-17(19)20-13;1-9-2-3-10(8-21)6-11(9)7-20-5-4-12-13(20)14(16)19-15(17)18-12;1-3-14-11(13)9-5-4-8(2)10(6-9)7-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-6(7)5-8;1-2-4-5-3-1;/h9-12,17,24,38H,6-8,13-16,18-20H2,1-5H3,(H3,31,32,33,34);5-8,13H,9-12,14-15H2,1-4H3,(H2,26,27,28);4-8H,3,9H2,1-2H3,(H2,19,20,21);2-6,21H,7-8H2,1H3,(H2,17,18,19);4-6H,3,7H2,1-2H3;10H,4-7H2,1-3H3;1,3H,2H2,(H2,9,10,11);6,8H,2-5,7H2,1H3;1-4H2;/t24-;;;;;;;6-;;/m0......0../s1
• InChIKey: NZHPKMARYRIYIC-SGHPTZICSA-N
• XLogP: 20.65
• TPSA: 546.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2609.49
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane?

The IUPAC name of [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane (CID 159928280) is [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane.

What is the SMILES notation for [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane?

The canonical SMILES for [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane is C1CCOC1.CC(C)(C)OC(=O)N1CCNCC1.CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)c12.CCCC[C@H](N)CO.CCOC(=O)c1ccc(C)c(CBr)c1.CCOC(=O)c1ccc(C)c(Cn2ccc3nc(N)nc(Cl)c32)c1.Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cn1ccc2nc(N)nc(Cl)c21.Cc1ccc(CO)cc1Cn1ccc2nc(N)nc(Cl)c21.Nc1nc(Cl)c2c(n1)C=CC2.[La].

What is the InChIKey of [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane?

The InChIKey is NZHPKMARYRIYIC-SGHPTZICSA-N. The full InChI is InChI=1S/C30H45N7O3.C24H31ClN6O2.C17H17ClN4O2.C15H15ClN4O.C11H13BrO2.C9H18N2O2.C7H6ClN3.C6H15NO.C4H8O.La/c1-6-7-8-24(20-38)32-27-26-25(33-28(31)34-27)11-12-37(26)19-23-17-22(10-9-21(23)2)18-35-13-15-36(16-14-35)29(39)40-30(3,4)5;1-16-5-6-17(14-29-9-11-30(12-10-29)23(32)33-24(2,3)4)13-18(16)15-31-8-7-19-20(31)21(25)28-22(26)27-19;1-3-24-16(23)11-5-4-10(2)12(8-11)9-22-7-6-13-14(22)15(18)21-17(19)20-13;1-9-2-3-10(8-21)6-11(9)7-20-5-4-12-13(20)14(16)19-15(17)18-12;1-3-14-11(13)9-5-4-8(2)10(6-9)7-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-6(7)5-8;1-2-4-5-3-1;/h9-12,17,24,38H,6-8,13-16,18-20H2,1-5H3,(H3,31,32,33,34);5-8,13H,9-12,14-15H2,1-4H3,(H2,26,27,28);4-8H,3,9H2,1-2H3,(H2,19,20,21);2-6,21H,7-8H2,1H3,(H2,17,18,19);4-6H,3,7H2,1-2H3;10H,4-7H2,1-3H3;1,3H,2H2,(H2,9,10,11);6,8H,2-5,7H2,1H3;1-4H2;/t24-;;;;;;;6-;;/m0......0../s1.

What are the key properties of [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane?

[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane has a molecular weight of 2609.49 g/mol, XLogP of 20.65, 28 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methanol;(2S)-2-aminohexan-1-ol;tert-butyl 4-[[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[3-[[2-amino-4-[[(2S)-1-hydroxyhexan-2-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-5H-cyclopenta[d]pyrimidin-2-amine;ethyl 3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methylbenzoate;ethyl 3-(bromomethyl)-4-methylbenzoate;lanthanum;oxolane is sourced from PubChem (CID 159928280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).