2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C12H16N6 — CID 176671441

IUPAC2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CNC3)nc2n1
InChIInChI=1S/C12H16N6/c1-6-3-7(2)15-11-9(6)10(13)17-12(18-11)16-8-4-14-5-8/h3,8,14H,4-5H2,1-2H3,(H3,13,15,16,17,18)
InChIKeyQFMBMVHXGFXVQQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.61
Rot. Bonds2

About 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671441) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671441
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(C)c2c(N)nc(NC3CNC3)nc2n1
InChIInChI=1S/C12H16N6/c1-6-3-7(2)15-11-9(6)10(13)17-12(18-11)16-8-4-14-5-8/h3,8,14H,4-5H2,1-2H3,(H3,13,15,16,17,18)
InChIKeyQFMBMVHXGFXVQQ-UHFFFAOYSA-N
XLogP0.61
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-2-N-[1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671106
[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671440
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757
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-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 176670877
4-N,5,7-trimethyl-2-N-(5-methylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670666
5,7-dimethyl-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147679

Frequently Asked Questions

What is the IUPAC name of 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671441) is 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(C)c2c(N)nc(NC3CNC3)nc2n1.
What is the InChIKey of 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QFMBMVHXGFXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-6-3-7(2)15-11-9(6)10(13)17-12(18-11)16-8-4-14-5-8/h3,8,14H,4-5H2,1-2H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).