[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol

C15H22N6O — CID 176671490

IUPAC[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
SMILESCNc1nc(NC2CNCC2CO)nc2nc(C)cc(C)c12
InChIInChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21)
InChIKeyKLIGYGUFHHYKSR-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.68
Rot. Bonds4

About [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol

[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol (PubChem CID 176671490) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
PubChem CID176671490
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
SMILESCNc1nc(NC2CNCC2CO)nc2nc(C)cc(C)c12
InChIInChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21)
InChIKeyKLIGYGUFHHYKSR-UHFFFAOYSA-N
XLogP0.68
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[(3R,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol
CID 176670951
[(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-(1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671228
1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
CID 176671160
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186
CID 176671233
CID 176671233
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670722
5-azaspiro[2.4]heptane;4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671330
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
N-[2-[[2-[[1-[2-[4-[[5,7-dimethyl-4-(2-methylsulfonylethylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]ethyl]piperidin-4-yl]amino]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 176671520

Frequently Asked Questions

What is the IUPAC name of [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The IUPAC name of [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol (CID 176671490) is [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol is CNc1nc(NC2CNCC2CO)nc2nc(C)cc(C)c12.
What is the InChIKey of [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
The InChIKey is KLIGYGUFHHYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-8-4-9(2)18-14-12(8)13(16-3)20-15(21-14)19-11-6-17-5-10(11)7-22/h4,10-11,17,22H,5-7H2,1-3H3,(H2,16,18,19,20,21).
What are the key properties of [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol?
[4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol has a molecular weight of 302.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 176671490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).