6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H27N3O — CID 24928819

IUPAC6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(C)c(CN2CCc3nc(C(C)C)ncc3C2)cc1C
InChIInChI=1S/C20H27N3O/c1-13(2)20-21-10-17-12-23(7-6-18(17)22-20)11-16-8-15(4)19(24-5)9-14(16)3/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyWGMQHGPEJSLUMO-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.78
Rot. Bonds4

About 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928819) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928819
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(C)c(CN2CCc3nc(C(C)C)ncc3C2)cc1C
InChIInChI=1S/C20H27N3O/c1-13(2)20-21-10-17-12-23(7-6-18(17)22-20)11-16-8-15(4)19(24-5)9-14(16)3/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyWGMQHGPEJSLUMO-UHFFFAOYSA-N
XLogP3.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928903
6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
6-[(2,5-diethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928735
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909790
6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913570
5-methyl-4-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,3-diol
CID 24928567
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910273
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210
6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917187
6-[(2,3-dimethylphenoxy)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928336
2-propan-2-yl-6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915964

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928819) is 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(C)c(CN2CCc3nc(C(C)C)ncc3C2)cc1C.
What is the InChIKey of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WGMQHGPEJSLUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)20-21-10-17-12-23(7-6-18(17)22-20)11-16-8-15(4)19(24-5)9-14(16)3/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 325.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).