2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C35H52N12O — CID 176670932

IUPAC2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CNC(COC)C2)nc2nc(C)cc(C)c12.CNc1nc(NCC23CCCC2N(C)CC3)nc2nc(C)cc(C)c12
InChIInChI=1S/C19H28N6.C16H24N6O/c1-12-10-13(2)22-17-15(12)16(20-3)23-18(24-17)21-11-19-7-5-6-14(19)25(4)9-8-19;1-9-5-10(2)19-15-13(9)14(17-3)21-16(22-15)20-11-6-12(8-23-4)18-7-11/h10,14H,5-9,11H2,1-4H3,(H2,20,21,22,23,24);5,11-12,18H,6-8H2,1-4H3,(H2,17,19,20,21,22)
InChIKeyWNJAWXAQCJTLGT-UHFFFAOYSA-N
MW656.88 g/mol
LogP4.44
Rot. Bonds9

About 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176670932) has the molecular formula C35H52N12O and a molecular weight of 656.88 g/mol. Its IUPAC name is 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176670932
Molecular FormulaC35H52N12O
Molecular Weight656.88 g/mol
Exact Mass656.44
IUPAC Name2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CNC(COC)C2)nc2nc(C)cc(C)c12.CNc1nc(NCC23CCCC2N(C)CC3)nc2nc(C)cc(C)c12
InChIInChI=1S/C19H28N6.C16H24N6O/c1-12-10-13(2)22-17-15(12)16(20-3)23-18(24-17)21-11-19-7-5-6-14(19)25(4)9-8-19;1-9-5-10(2)19-15-13(9)14(17-3)21-16(22-15)20-11-6-12(8-23-4)18-7-11/h10,14H,5-9,11H2,1-4H3,(H2,20,21,22,23,24);5,11-12,18H,6-8H2,1-4H3,(H2,17,19,20,21,22)
InChIKeyWNJAWXAQCJTLGT-UHFFFAOYSA-N
XLogP4.44
TPSA149.96 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.88
LogP ≤ 54.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

[(2S,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
CID 176670885
4-N,5,7-trimethyl-2-N-(5-methylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670666
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671228
[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176670951
[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176671490
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
CID 176671160
CID 176671233
CID 176671233
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 176671261
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176670932) is 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2CNC(COC)C2)nc2nc(C)cc(C)c12.CNc1nc(NCC23CCCC2N(C)CC3)nc2nc(C)cc(C)c12.
What is the InChIKey of 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WNJAWXAQCJTLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.C16H24N6O/c1-12-10-13(2)22-17-15(12)16(20-3)23-18(24-17)21-11-19-7-5-6-14(19)25(4)9-8-19;1-9-5-10(2)19-15-13(9)14(17-3)21-16(22-15)20-11-6-12(8-23-4)18-7-11/h10,14H,5-9,11H2,1-4H3,(H2,20,21,22,23,24);5,11-12,18H,6-8H2,1-4H3,(H2,17,19,20,21,22).
What are the key properties of 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 656.88 g/mol, XLogP of 4.44, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(methoxymethyl)pyrrolidin-3-yl]-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine;4-N,5,7-trimethyl-2-N-[(1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176670932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).