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

C19H25N3O2 — CID 24928302

IUPAC6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cccc(OC)c1OC)C2
InChIInChI=1S/C19H25N3O2/c1-4-6-18-20-11-15-13-22(10-9-16(15)21-18)12-14-7-5-8-17(23-2)19(14)24-3/h5,7-8,11H,4,6,9-10,12-13H2,1-3H3
InChIKeyCBJJINYSGBBSDU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds6

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

6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928302) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928302
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cccc(OC)c1OC)C2
InChIInChI=1S/C19H25N3O2/c1-4-6-18-20-11-15-13-22(10-9-16(15)21-18)12-14-7-5-8-17(23-2)19(14)24-3/h5,7-8,11H,4,6,9-10,12-13H2,1-3H3
InChIKeyCBJJINYSGBBSDU-UHFFFAOYSA-N
XLogP3.00
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929877
6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929342
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929457
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
6-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916182
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
6-[(2-chloro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929133
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912612
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928302) is 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cccc(OC)c1OC)C2.
What is the InChIKey of 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CBJJINYSGBBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-6-18-20-11-15-13-22(10-9-16(15)21-18)12-14-7-5-8-17(23-2)19(14)24-3/h5,7-8,11H,4,6,9-10,12-13H2,1-3H3.
What are the key properties of 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).