4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C13H10ClN5 — CID 5328070

IUPAC4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(Cl)c3)c2cn1
InChIInChI=1S/C13H10ClN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyHOFPQFNPXSITFY-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.00
Rot. Bonds2

About 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328070) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328070
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(Cl)c3)c2cn1
InChIInChI=1S/C13H10ClN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyHOFPQFNPXSITFY-UHFFFAOYSA-N
XLogP3.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328070) is 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3cccc(Cl)c3)c2cn1.
What is the InChIKey of 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is HOFPQFNPXSITFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 271.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).