6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C21H20ClFN4 — CID 94674137

IUPAC6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)ccc1F
InChIInChI=1S/C21H20ClFN4/c1-14-11-16(7-8-18(14)23)24-21-25-19-9-10-27(13-17(19)20(22)26-21)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,26)
InChIKeyYFQHXFJYUFMCSF-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.88
Rot. Bonds4

About 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 94674137) has the molecular formula C21H20ClFN4 and a molecular weight of 382.87 g/mol. Its IUPAC name is 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID94674137
Molecular FormulaC21H20ClFN4
Molecular Weight382.87 g/mol
Exact Mass382.14
IUPAC Name6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)ccc1F
InChIInChI=1S/C21H20ClFN4/c1-14-11-16(7-8-18(14)23)24-21-25-19-9-10-27(13-17(19)20(22)26-21)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,26)
InChIKeyYFQHXFJYUFMCSF-UHFFFAOYSA-N
XLogP4.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 58865993
6-benzyl-2-(3,5-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 122460623
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 10297777
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
6-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46345905
6-benzyl-N-(2-fluoro-4-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 151188622
6-benzyl-N-(4-tert-butylphenyl)-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346481
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 122460970

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 94674137) is 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Cc1cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)ccc1F.
What is the InChIKey of 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is YFQHXFJYUFMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4/c1-14-11-16(7-8-18(14)23)24-21-25-19-9-10-27(13-17(19)20(22)26-21)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,26).
What are the key properties of 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 382.87 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-N-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 94674137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).