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

C19H25N3O2 — CID 24928651

IUPAC6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-20-10-15-12-22(8-7-17(15)21-19)11-14-5-6-16(23-3)9-18(14)24-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyOYTFVGUWLHSFPW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.18
Rot. Bonds5

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

6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928651) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928651
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-13(2)19-20-10-15-12-22(8-7-17(15)21-19)11-14-5-6-16(23-3)9-18(14)24-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKeyOYTFVGUWLHSFPW-UHFFFAOYSA-N
XLogP3.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928819
6-[(2,5-diethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928735
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928903
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
6-[(2,4-dimethoxyphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92594886
6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915460
6-[(2,4-dimethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960934
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(2,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960580
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
CID 146071393
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928651) is 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is OYTFVGUWLHSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)19-20-10-15-12-22(8-7-17(15)21-19)11-14-5-6-16(23-3)9-18(14)24-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).