6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine

C15H13ClN4 — CID 87622003

IUPAC6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(N)nc3ccc(Cl)nc23)cc1C
InChIInChI=1S/C15H13ClN4/c1-8-3-4-10(7-9(8)2)13-14-11(18-15(17)20-13)5-6-12(16)19-14/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyIZJAAMBCXLPTDC-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.54
Rot. Bonds1

About 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine

6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 87622003) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID87622003
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(N)nc3ccc(Cl)nc23)cc1C
InChIInChI=1S/C15H13ClN4/c1-8-3-4-10(7-9(8)2)13-14-11(18-15(17)20-13)5-6-12(16)19-14/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyIZJAAMBCXLPTDC-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 87622003) is 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine is Cc1ccc(-c2nc(N)nc3ccc(Cl)nc23)cc1C.
What is the InChIKey of 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is IZJAAMBCXLPTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-8-3-4-10(7-9(8)2)13-14-11(18-15(17)20-13)5-6-12(16)19-14/h3-7H,1-2H3,(H2,17,18,20).
What are the key properties of 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine?
6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,4-dimethylphenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 87622003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).