8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C140H190ClN31O6 — CID 158118436

About 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158118436) has the molecular formula C140H190ClN31O6 and a molecular weight of 2438.72 g/mol. Its IUPAC name is 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158118436
• Molecular Formula: C140H190ClN31O6
• Molecular Weight: 2438.72 g/mol
• Exact Mass: 2436.52
• IUPAC Name: 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1.C=C1Cc2c(N)nc(OCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(Cl)cc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1(C)C
• InChI: InChI=1S/C26H37N5O.C24H32ClN5O.C24H34N6.C23H31N5O.C22H29N5O.C21H27N5O2/c1-5-6-14-32-25-28-23(27)22-15-19(2)26(3,4)31(24(22)29-25)18-21-11-9-10-20(16-21)17-30-12-7-8-13-30;1-3-4-9-31-24-27-22(26)21-10-17(2)14-30(23(21)28-24)16-19-11-18(12-20(25)13-19)15-29-7-5-6-8-29;1-3-4-11-26-24-27-22(25)21-14-18(2)15-30(23(21)28-24)17-20-9-7-19(8-10-20)16-29-12-5-6-13-29;1-3-4-11-29-23-25-21(24)20-12-17(2)14-28(22(20)26-23)16-19-8-5-7-18(13-19)15-27-9-6-10-27;1-3-28-22-24-20(23)19-11-16(2)13-27(21(19)25-22)15-18-8-6-7-17(12-18)14-26-9-4-5-10-26;1-14-9-18-19(22)24-21(28-13-16-5-7-27-8-6-16)25-20(18)26(11-14)12-17-4-3-15(2)23-10-17/h9-11,16H,2,5-8,12-15,17-18H2,1,3-4H3,(H2,27,28,29);11-13H,2-10,14-16H2,1H3,(H2,26,27,28);7-10H,2-6,11-17H2,1H3,(H3,25,26,27,28);5,7-8,13H,2-4,6,9-12,14-16H2,1H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-15H2,1H3,(H2,23,24,25);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25)
• InChIKey: FRHSTEDTYYNBEK-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 426.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.72
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158118436) is 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1.C=C1Cc2c(N)nc(OCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(Cl)cc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1(C)C.

What is the InChIKey of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is FRHSTEDTYYNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O.C24H32ClN5O.C24H34N6.C23H31N5O.C22H29N5O.C21H27N5O2/c1-5-6-14-32-25-28-23(27)22-15-19(2)26(3,4)31(24(22)29-25)18-21-11-9-10-20(16-21)17-30-12-7-8-13-30;1-3-4-9-31-24-27-22(26)21-10-17(2)14-30(23(21)28-24)16-19-11-18(12-20(25)13-19)15-29-7-5-6-8-29;1-3-4-11-26-24-27-22(25)21-14-18(2)15-30(23(21)28-24)17-20-9-7-19(8-10-20)16-29-12-5-6-13-29;1-3-4-11-29-23-25-21(24)20-12-17(2)14-28(22(20)26-23)16-19-8-5-7-18(13-19)15-27-9-6-10-27;1-3-28-22-24-20(23)19-11-16(2)13-27(21(19)25-22)15-18-8-6-7-17(12-18)14-26-9-4-5-10-26;1-14-9-18-19(22)24-21(28-13-16-5-7-27-8-6-16)25-20(18)26(11-14)12-17-4-3-15(2)23-10-17/h9-11,16H,2,5-8,12-15,17-18H2,1,3-4H3,(H2,27,28,29);11-13H,2-10,14-16H2,1H3,(H2,26,27,28);7-10H,2-6,11-17H2,1H3,(H3,25,26,27,28);5,7-8,13H,2-4,6,9-12,14-16H2,1H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-15H2,1H3,(H2,23,24,25);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25).

What are the key properties of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2438.72 g/mol, XLogP of 22.74, 43 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158118436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).