5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one

C11H13N3O — CID 142380129

IUPAC5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1cc(C(C)C)nc2[nH]c(=O)ncc12
InChIInChI=1S/C11H13N3O/c1-6(2)9-4-7(3)8-5-12-11(15)14-10(8)13-9/h4-6H,1-3H3,(H,12,13,14,15)
InChIKeyWQBAOHKCUAQADH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.75
Rot. Bonds1

About 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one

5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 142380129) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID142380129
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCc1cc(C(C)C)nc2[nH]c(=O)ncc12
InChIInChI=1S/C11H13N3O/c1-6(2)9-4-7(3)8-5-12-11(15)14-10(8)13-9/h4-6H,1-3H3,(H,12,13,14,15)
InChIKeyWQBAOHKCUAQADH-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
CID 163365412
7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
CID 140989785
4,6-di(propan-2-yl)-1H-pyrimidin-2-one
CID 59336135
5-propan-2-yl-1H-quinazolin-2-one
CID 170419248
2,3,4-trimethyl-6-propan-2-ylpyridine
CID 20745705
6-ethyl-4-propan-2-yl-1H-pyrimidin-2-one
CID 130056096
5-methyl-1H-quinazolin-2-one
CID 90281623
6,8-dimethyl-1H-quinazolin-2-one
CID 163903053
5-amino-1H-pyrimido[4,5-d]pyrimidin-2-one
CID 131845643
4-methyl-6,8-di(propan-2-yl)pyrano[2,3-c]pyridin-2-one
CID 67551515
6-bromo-1H-pyrido[2,3-d]pyrimidin-2-one
CID 118036732
2-chloro-3,4-dimethyl-6-propan-2-ylpyridine
CID 135139211

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one (CID 142380129) is 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one is Cc1cc(C(C)C)nc2[nH]c(=O)ncc12.
What is the InChIKey of 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WQBAOHKCUAQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6(2)9-4-7(3)8-5-12-11(15)14-10(8)13-9/h4-6H,1-3H3,(H,12,13,14,15).
What are the key properties of 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one?
5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 142380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).