4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane

C110H141Cl5FN25O8 — CID 159105510

About 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane

4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane (PubChem CID 159105510) has the molecular formula C110H141Cl5FN25O8 and a molecular weight of 2137.77 g/mol. Its IUPAC name is 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane.

Molecular Properties

• Compound Name: 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane
• PubChem CID: 159105510
• Molecular Formula: C110H141Cl5FN25O8
• Molecular Weight: 2137.77 g/mol
• Exact Mass: 2133.98
• IUPAC Name: 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane
• SMILES: C.C=C([C@H](CN)c1ccc(Cl)cc1)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1.C=C([C@H](N)Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2C(C)OC3)[C@@H](C)C1.CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)OC3)CC1)c1ccc(Cl)cc1.CC1OCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.CC1OCc2ncnc(N3CCN(C(=O)[C@@H](N)Cc4ccc(Cl)cc4)CC3)c21
• InChI: InChI=1S/C23H29ClFN5O2.C23H30ClN5O2.C22H28ClN5O.C21H26ClN5O.C20H24ClN5O2.CH4/c1-14-20-19(12-32-14)27-13-28-21(20)29-6-8-30(9-7-29)22(31)16(11-23(2,3)26)15-4-5-17(24)18(25)10-15;1-15(2)25-12-19(17-4-6-18(24)7-5-17)23(30)29-10-8-28(9-11-29)22-21-16(3)31-13-20(21)26-14-27-22;1-14-11-27(15(2)19(24)10-17-4-6-18(23)7-5-17)8-9-28(14)22-21-16(3)29-12-20(21)25-13-26-22;1-14(18(11-23)16-3-5-17(22)6-4-16)26-7-9-27(10-8-26)21-20-15(2)28-12-19(20)24-13-25-21;1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14;/h4-5,10,13-14,16H,6-9,11-12,26H2,1-3H3;4-7,14-16,19,25H,8-13H2,1-3H3;4-7,13-14,16,19H,2,8-12,24H2,1,3H3;3-6,13,15,18H,1,7-12,23H2,2H3;2-5,12-13,16H,6-11,22H2,1H3;1H4/t;;14-,16?,19+;15-,18-;13?,16-;/m..000./s1
• InChIKey: KDVGAMXHCKMZLL-FVJKSHBGSA-N
• XLogP: 15.56
• TPSA: 374.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.77
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane?

The IUPAC name of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane (CID 159105510) is 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane.

What is the SMILES notation for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane?

The canonical SMILES for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane is C.C=C([C@H](CN)c1ccc(Cl)cc1)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1.C=C([C@H](N)Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2C(C)OC3)[C@@H](C)C1.CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)OC3)CC1)c1ccc(Cl)cc1.CC1OCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)CC3)c21.CC1OCc2ncnc(N3CCN(C(=O)[C@@H](N)Cc4ccc(Cl)cc4)CC3)c21.

What is the InChIKey of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane?

The InChIKey is KDVGAMXHCKMZLL-FVJKSHBGSA-N. The full InChI is InChI=1S/C23H29ClFN5O2.C23H30ClN5O2.C22H28ClN5O.C21H26ClN5O.C20H24ClN5O2.CH4/c1-14-20-19(12-32-14)27-13-28-21(20)29-6-8-30(9-7-29)22(31)16(11-23(2,3)26)15-4-5-17(24)18(25)10-15;1-15(2)25-12-19(17-4-6-18(24)7-5-17)23(30)29-10-8-28(9-11-29)22-21-16(3)31-13-20(21)26-14-27-22;1-14-11-27(15(2)19(24)10-17-4-6-18(23)7-5-17)8-9-28(14)22-21-16(3)29-12-20(21)25-13-26-22;1-14(18(11-23)16-3-5-17(22)6-4-16)26-7-9-27(10-8-26)21-20-15(2)28-12-19(20)24-13-25-21;1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14;/h4-5,10,13-14,16H,6-9,11-12,26H2,1-3H3;4-7,14-16,19,25H,8-13H2,1-3H3;4-7,13-14,16,19H,2,8-12,24H2,1,3H3;3-6,13,15,18H,1,7-12,23H2,2H3;2-5,12-13,16H,6-11,22H2,1H3;1H4/t;;14-,16?,19+;15-,18-;13?,16-;/m..000./s1.

What are the key properties of 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane?

4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane has a molecular weight of 2137.77 g/mol, XLogP of 15.56, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;(2S)-2-(4-chlorophenyl)-3-[4-[(5S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]piperazin-1-yl]but-3-en-1-amine;2-(4-chlorophenyl)-1-[4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2R)-1-(4-chlorophenyl)-3-[(3S)-3-methyl-4-(5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]but-3-en-2-amine;methane is sourced from PubChem (CID 159105510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).