4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine

C17H17N3O — CID 130256296

IUPAC4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine
SMILESCc1nc(OCC(C)c2ccccc2)nc2cnccc12
InChIInChI=1S/C17H17N3O/c1-12(14-6-4-3-5-7-14)11-21-17-19-13(2)15-8-9-18-10-16(15)20-17/h3-10,12H,11H2,1-2H3
InChIKeyXCHNVXLXWVIEEU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.52
Rot. Bonds4

About 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine

4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine (PubChem CID 130256296) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine
PubChem CID130256296
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine
SMILESCc1nc(OCC(C)c2ccccc2)nc2cnccc12
InChIInChI=1S/C17H17N3O/c1-12(14-6-4-3-5-7-14)11-21-17-19-13(2)15-8-9-18-10-16(15)20-17/h3-10,12H,11H2,1-2H3
InChIKeyXCHNVXLXWVIEEU-UHFFFAOYSA-N
XLogP3.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-methylquinazoline
CID 119090312
4-methyl-2-phenyl-1,7-naphthyridine
CID 71032237
N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 166177652
2-[[4-[4-(1-methoxypropan-2-yl)-N-methylanilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137072374
1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
CID 145463800
1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine
CID 130256170
3-(2-phenylpropoxy)-1,2-thiazole
CID 174431674
2-phenyl-1,7-naphthyridin-4-amine
CID 11470076
3-(2-phenylpropyl)-4-propan-2-ylpyridine
CID 138726137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine (CID 130256296) is 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine is Cc1nc(OCC(C)c2ccccc2)nc2cnccc12.
What is the InChIKey of 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine?
The InChIKey is XCHNVXLXWVIEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(14-6-4-3-5-7-14)11-21-17-19-13(2)15-8-9-18-10-16(15)20-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine?
4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine has a molecular weight of 279.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 130256296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).