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

C16H18ClN3 — CID 24930380

IUPAC2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCN1CCc2cnc(-c3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C16H18ClN3/c1-2-8-20-9-7-13-10-18-16(19-15(13)11-20)12-3-5-14(17)6-4-12/h3-6,10H,2,7-9,11H2,1H3
InChIKeyRUSHGAHGZSKPRX-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.57
Rot. Bonds3

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

2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930380) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930380
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCN1CCc2cnc(-c3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C16H18ClN3/c1-2-8-20-9-7-13-10-18-16(19-15(13)11-20)12-3-5-14(17)6-4-12/h3-6,10H,2,7-9,11H2,1H3
InChIKeyRUSHGAHGZSKPRX-UHFFFAOYSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930863
2-(4-chlorophenyl)-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930464
2-(4-chlorophenyl)-7-[(1-methylindol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930632
2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930926
2-methyl-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930382
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411
2-(4-chlorophenyl)-6-[(1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909054
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
6-[(2-chloro-6-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916590
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916569

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930380) is 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCCN1CCc2cnc(-c3ccc(Cl)cc3)nc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is RUSHGAHGZSKPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-2-8-20-9-7-13-10-18-16(19-15(13)11-20)12-3-5-14(17)6-4-12/h3-6,10H,2,7-9,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 287.79 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).