2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C10H12N4O — CID 137292829

IUPAC2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C10H12N4O/c1-5(2)7-4-3-6-8(12-7)13-10(11)14-9(6)15/h3-5H,1-2H3,(H3,11,12,13,14,15)
InChIKeyXSKVXKAAPMUWFL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.02
Rot. Bonds1

About 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137292829) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137292829
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C10H12N4O/c1-5(2)7-4-3-6-8(12-7)13-10(11)14-9(6)15/h3-5H,1-2H3,(H3,11,12,13,14,15)
InChIKeyXSKVXKAAPMUWFL-UHFFFAOYSA-N
XLogP1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367
2-amino-7-propan-2-yl-1H-purin-6-one
CID 135618536
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
CID 66875756
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-3H-furo[2,3-d]pyrimidin-4-one
CID 13302347
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
4,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine
CID 59224806
2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 163206466
5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 118259570
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 135513803

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137292829) is 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is CC(C)c1ccc2c(=O)[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XSKVXKAAPMUWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-5(2)7-4-3-6-8(12-7)13-10(11)14-9(6)15/h3-5H,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137292829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).