2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

C97H131N25O4 — CID 159091673

About 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 159091673) has the molecular formula C97H131N25O4 and a molecular weight of 1711.29 g/mol. Its IUPAC name is 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 159091673
• Molecular Formula: C97H131N25O4
• Molecular Weight: 1711.29 g/mol
• Exact Mass: 1710.08
• IUPAC Name: 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
• SMILES: C=C1Cc2c(N)nc(NCC3CCCO3)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCN(C)CC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNc3ccccn3)c2)C1
• InChI: InChI=1S/C25H34N6O.C25H36N6O.C25H30N6O.C22H31N7O/c1-18-12-22-23(26)28-25(27-14-21-8-5-11-32-21)29-24(22)31(15-18)17-20-7-4-6-19(13-20)16-30-9-2-3-10-30;1-4-5-13-32-25-27-23(26)22-14-19(2)16-31(24(22)28-25)18-21-8-6-7-20(15-21)17-30-11-9-29(3)10-12-30;1-3-4-12-32-25-29-23(26)21-13-18(2)16-31(24(21)30-25)17-20-9-7-8-19(14-20)15-28-22-10-5-6-11-27-22;1-3-4-6-25-22-26-20(23)18-12-16(2)14-29(21(18)27-22)15-17-5-7-24-19(13-17)28-8-10-30-11-9-28/h4,6-7,13,21H,1-3,5,8-12,14-17H2,(H3,26,27,28,29);6-8,15H,2,4-5,9-14,16-18H2,1,3H3,(H2,26,27,28);5-11,14H,2-4,12-13,15-17H2,1H3,(H,27,28)(H2,26,29,30);5,7,13H,2-4,6,8-12,14-15H2,1H3,(H3,23,25,26,27)
• InChIKey: KCDJZUGEMIIBOM-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 331.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1711.29
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

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 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (CID 159091673) is 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is C=C1Cc2c(N)nc(NCC3CCCO3)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCN(C)CC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNc3ccccn3)c2)C1.

What is the InChIKey of 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is KCDJZUGEMIIBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C25H36N6O.C25H30N6O.C22H31N7O/c1-18-12-22-23(26)28-25(27-14-21-8-5-11-32-21)29-24(22)31(15-18)17-20-7-4-6-19(13-20)16-30-9-2-3-10-30;1-4-5-13-32-25-27-23(26)22-14-19(2)16-31(24(22)28-25)18-21-8-6-7-20(15-21)17-30-11-9-29(3)10-12-30;1-3-4-12-32-25-29-23(26)21-13-18(2)16-31(24(21)30-25)17-20-9-7-8-19(14-20)15-28-22-10-5-6-11-27-22;1-3-4-6-25-22-26-20(23)18-12-16(2)14-29(21(18)27-22)15-17-5-7-24-19(13-17)28-8-10-30-11-9-28/h4,6-7,13,21H,1-3,5,8-12,14-17H2,(H3,26,27,28,29);6-8,15H,2,4-5,9-14,16-18H2,1,3H3,(H2,26,27,28);5-11,14H,2-4,12-13,15-17H2,1H3,(H,27,28)(H2,26,29,30);5,7,13H,2-4,6,8-12,14-15H2,1H3,(H3,23,25,26,27).

What are the key properties of 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1711.29 g/mol, XLogP of 13.45, 31 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159091673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).