N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

C27H21ClN4O — CID 132515794

IUPACN-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(NCc4ccccc4)ncnc3n2)c1
InChIInChI=1S/C27H21ClN4O/c1-33-22-9-5-8-20(14-22)24-15-23(19-10-12-21(28)13-11-19)25-26(30-17-31-27(25)32-24)29-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3,(H,29,30,31,32)
InChIKeyHWFVWKIPEFMRIN-UHFFFAOYSA-N
MW452.95 g/mol
LogP6.63
Rot. Bonds6

About N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 132515794) has the molecular formula C27H21ClN4O and a molecular weight of 452.95 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID132515794
Molecular FormulaC27H21ClN4O
Molecular Weight452.95 g/mol
Exact Mass452.14
IUPAC NameN-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(NCc4ccccc4)ncnc3n2)c1
InChIInChI=1S/C27H21ClN4O/c1-33-22-9-5-8-20(14-22)24-15-23(19-10-12-21(28)13-11-19)25-26(30-17-31-27(25)32-24)29-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3,(H,29,30,31,32)
InChIKeyHWFVWKIPEFMRIN-UHFFFAOYSA-N
XLogP6.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
7-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256900
diethyl 2-[[[5-(4-methoxyphenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-yl]amino]methylidene]propanedioate
CID 10767632
N-benzyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4115346
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
5-(4-bromophenyl)-N-butyl-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 171366922
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 46342299
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 132515794) is N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(NCc4ccccc4)ncnc3n2)c1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HWFVWKIPEFMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O/c1-33-22-9-5-8-20(14-22)24-15-23(19-10-12-21(28)13-11-19)25-26(30-17-31-27(25)32-24)29-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3,(H,29,30,31,32).
What are the key properties of N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 452.95 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 132515794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).