2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

C123H172N36O5 — CID 159930916

About 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol

2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 159930916) has the molecular formula C123H172N36O5 and a molecular weight of 2234.98 g/mol. Its IUPAC name is 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

• Compound Name: 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
• PubChem CID: 159930916
• Molecular Formula: C123H172N36O5
• Molecular Weight: 2234.98 g/mol
• Exact Mass: 2233.43
• IUPAC Name: 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
• SMILES: CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(C4CCN(C)CC4)nc3)cnc12.CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCCC4)nc3)cnc12.CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(C4CCN(C)CC4)nc3)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCCC4)nc3)cnc12
• InChI: InChI=1S/C25H36N8O.2C25H35N7O.2C24H33N7O/c1-4-5-8-25(2,17-34)31-23-22-21(29-24(26)30-23)13-19(15-28-22)18-6-7-20(27-14-18)16-33-11-9-32(3)10-12-33;2*1-4-5-10-25(2,16-33)31-23-22-21(29-24(26)30-23)13-19(15-28-22)18-6-7-20(27-14-18)17-8-11-32(3)12-9-17;2*1-3-4-9-24(2,16-32)30-22-21-20(28-23(25)29-22)12-18(14-27-21)17-7-8-19(26-13-17)15-31-10-5-6-11-31/h6-7,13-15,34H,4-5,8-12,16-17H2,1-3H3,(H3,26,29,30,31);2*6-7,13-15,17,33H,4-5,8-12,16H2,1-3H3,(H3,26,29,30,31);2*7-8,12-14,32H,3-6,9-11,15-16H2,1-2H3,(H3,25,28,29,30)/t;25-;;24-;/m.1.1./s1
• InChIKey: NZPXNXONKWPDNE-OHHDZXJCSA-N
• XLogP: 17.67
• TPSA: 568.64 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.98
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?

The IUPAC name of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol (CID 159930916) is 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol.

What is the SMILES notation for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?

The canonical SMILES for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(C4CCN(C)CC4)nc3)cnc12.CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCCC4)nc3)cnc12.CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(C4CCN(C)CC4)nc3)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCCC4)nc3)cnc12.

What is the InChIKey of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?

The InChIKey is NZPXNXONKWPDNE-OHHDZXJCSA-N. The full InChI is InChI=1S/C25H36N8O.2C25H35N7O.2C24H33N7O/c1-4-5-8-25(2,17-34)31-23-22-21(29-24(26)30-23)13-19(15-28-22)18-6-7-20(27-14-18)16-33-11-9-32(3)10-12-33;2*1-4-5-10-25(2,16-33)31-23-22-21(29-24(26)30-23)13-19(15-28-22)18-6-7-20(27-14-18)17-8-11-32(3)12-9-17;2*1-3-4-9-24(2,16-32)30-22-21-20(28-23(25)29-22)12-18(14-27-21)17-7-8-19(26-13-17)15-31-10-5-6-11-31/h6-7,13-15,34H,4-5,8-12,16-17H2,1-3H3,(H3,26,29,30,31);2*6-7,13-15,17,33H,4-5,8-12,16H2,1-3H3,(H3,26,29,30,31);2*7-8,12-14,32H,3-6,9-11,15-16H2,1-2H3,(H3,25,28,29,30)/t;25-;;24-;/m.1.1./s1.

What are the key properties of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol?

2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 2234.98 g/mol, XLogP of 17.67, 43 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[[2-amino-7-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 159930916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).