N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine

C13H9ClN4 — CID 22460895

IUPACN-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3ccncc23)c1
InChIInChI=1S/C13H9ClN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18)
InChIKeyUTDASZLSKTXCQQ-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.42
Rot. Bonds2

About N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 22460895) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID22460895
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC NameN-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3ccncc23)c1
InChIInChI=1S/C13H9ClN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18)
InChIKeyUTDASZLSKTXCQQ-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
CID 87720726
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
CID 57003876
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine
CID 174340828
N-(3-chlorophenyl)-4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-amine
CID 171440257
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine (CID 22460895) is N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3ccncc23)c1.
What is the InChIKey of N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UTDASZLSKTXCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18).
What are the key properties of N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 256.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22460895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).