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

C18H26N6O — CID 176671160

IUPAC1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
SMILESCNc1nc(NC2CN(C3CCC3)CC2O)nc2nc(C)cc(C)c12
InChIInChI=1S/C18H26N6O/c1-10-7-11(2)20-17-15(10)16(19-3)22-18(23-17)21-13-8-24(9-14(13)25)12-5-4-6-12/h7,12-14,25H,4-6,8-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyXBKKIJLHGSHKNN-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.69
Rot. Bonds4

About 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol

1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol (PubChem CID 176671160) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
PubChem CID176671160
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol
SMILESCNc1nc(NC2CN(C3CCC3)CC2O)nc2nc(C)cc(C)c12
InChIInChI=1S/C18H26N6O/c1-10-7-11(2)20-17-15(10)16(19-3)22-18(23-17)21-13-8-24(9-14(13)25)12-5-4-6-12/h7,12-14,25H,4-6,8-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyXBKKIJLHGSHKNN-UHFFFAOYSA-N
XLogP1.69
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol with MolForge

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Related Compounds

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
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186
[(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
4-N,5,7-trimethyl-2-N-(5-methylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670666
[(2S,4R)-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
CID 176670885
ethane;2-N-heptan-3-yl-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670722
5,7-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72892101
CID 176671233
CID 176671233
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol?
The IUPAC name of 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol (CID 176671160) is 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol is CNc1nc(NC2CN(C3CCC3)CC2O)nc2nc(C)cc(C)c12.
What is the InChIKey of 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol?
The InChIKey is XBKKIJLHGSHKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-10-7-11(2)20-17-15(10)16(19-3)22-18(23-17)21-13-8-24(9-14(13)25)12-5-4-6-12/h7,12-14,25H,4-6,8-9H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol?
1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol has a molecular weight of 342.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[5,7-dimethyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 176671160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).