2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C13H19N3O — CID 176552982

IUPAC2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
SMILESCCCC(C)c1cc2cnc(C)nc2[nH]c1=O.[H][H]
InChIInChI=1S/C13H17N3O.H2/c1-4-5-8(2)11-6-10-7-14-9(3)15-12(10)16-13(11)17;/h6-8H,4-5H2,1-3H3,(H,14,15,16,17);1H
InChIKeyZTGRNMPCOZFYIA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds3

About 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 176552982) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
PubChem CID176552982
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
SMILESCCCC(C)c1cc2cnc(C)nc2[nH]c1=O.[H][H]
InChIInChI=1S/C13H17N3O.H2/c1-4-5-8(2)11-6-10-7-14-9(3)15-12(10)16-13(11)17;/h6-8H,4-5H2,1-3H3,(H,14,15,16,17);1H
InChIKeyZTGRNMPCOZFYIA-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-5-pentan-2-ylpyrimidine
CID 156543159
2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175780766
2-butylsulfanyl-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59286757
7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543647
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
2-pentan-2-yl-1H-imidazo[4,5-b]pyrazine
CID 68891452
2-(1,5-dimethoxypentan-3-ylamino)-6-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23401516
(4S)-4-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)-2-methylpentane-2-sulfinamide
CID 140707618
3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
CID 170712437
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?
The IUPAC name of 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 176552982) is 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.
What is the SMILES notation for 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?
The canonical SMILES for 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is CCCC(C)c1cc2cnc(C)nc2[nH]c1=O.[H][H].
What is the InChIKey of 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?
The InChIKey is ZTGRNMPCOZFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.H2/c1-4-5-8(2)11-6-10-7-14-9(3)15-12(10)16-13(11)17;/h6-8H,4-5H2,1-3H3,(H,14,15,16,17);1H.
What are the key properties of 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?
2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 233.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 176552982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).