2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane

C13H21N5O — CID 123347949

IUPAC2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane
SMILESCC(C)(C)C.Cc1cc2c(N)nc(N)nc2[nH]c1=O
InChIInChI=1S/C8H9N5O.C5H12/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14;1-5(2,3)4/h2H,1H3,(H5,9,10,11,12,13,14);1-4H3
InChIKeyINFZJDSSQDEFPR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds

About 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane

2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane (PubChem CID 123347949) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane.

Molecular Properties

Compound Name2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane
PubChem CID123347949
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane
SMILESCC(C)(C)C.Cc1cc2c(N)nc(N)nc2[nH]c1=O
InChIInChI=1S/C8H9N5O.C5H12/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14;1-5(2,3)4/h2H,1H3,(H5,9,10,11,12,13,14);1-4H3
InChIKeyINFZJDSSQDEFPR-UHFFFAOYSA-N
XLogP1.84
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 118004970
8-amino-3-methyl-1H-1,7-naphthyridin-2-one
CID 146573775
6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane
CID 169256471
3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
CID 122544848
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane
CID 143970024
7-methoxy-3-methyl-1H-1,8-naphthyridin-2-one
CID 143543998
6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine
CID 67889365
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
CID 163365412
2,6,7-trimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292833
7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 177233940
5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
CID 165091537

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane?
The IUPAC name of 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane (CID 123347949) is 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane.
What is the SMILES notation for 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane?
The canonical SMILES for 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane is CC(C)(C)C.Cc1cc2c(N)nc(N)nc2[nH]c1=O.
What is the InChIKey of 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane?
The InChIKey is INFZJDSSQDEFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O.C5H12/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14;1-5(2,3)4/h2H,1H3,(H5,9,10,11,12,13,14);1-4H3.
What are the key properties of 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane?
2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane has a molecular weight of 263.34 g/mol, XLogP of 1.84, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;2,2-dimethylpropane is sourced from PubChem (CID 123347949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).