7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine

C20H23N3O — CID 166122803

IUPAC7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C3=C=C(C(C)C)C3)nc(C3CCOCC3)nc2n1
InChIInChI=1S/C20H23N3O/c1-12(2)15-10-16(11-15)18-17-5-4-13(3)21-20(17)23-19(22-18)14-6-8-24-9-7-14/h4-5,12,14H,6-10H2,1-3H3
InChIKeyCQJZLVACRITPLD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.20
Rot. Bonds3

About 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine

7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine (PubChem CID 166122803) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine
PubChem CID166122803
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C3=C=C(C(C)C)C3)nc(C3CCOCC3)nc2n1
InChIInChI=1S/C20H23N3O/c1-12(2)15-10-16(11-15)18-17-5-4-13(3)21-20(17)23-19(22-18)14-6-8-24-9-7-14/h4-5,12,14H,6-10H2,1-3H3
InChIKeyCQJZLVACRITPLD-UHFFFAOYSA-N
XLogP4.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
CID 157045533
1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
CID 157045532
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
2-[(2S,4S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
CID 157045021
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
4-(4-cyclobutyl-7-methylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 157044442
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887939
4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166122684
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
4-(4-chloro-2-fluorophenyl)-2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methylpyrido[2,3-d]pyrimidine
CID 166561399
2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
CID 163309210

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine (CID 166122803) is 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine is Cc1ccc2c(C3=C=C(C(C)C)C3)nc(C3CCOCC3)nc2n1.
What is the InChIKey of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine?
The InChIKey is CQJZLVACRITPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12(2)15-10-16(11-15)18-17-5-4-13(3)21-20(17)23-19(22-18)14-6-8-24-9-7-14/h4-5,12,14H,6-10H2,1-3H3.
What are the key properties of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine?
7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine has a molecular weight of 321.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166122803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).