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

C13H9ClN4 — CID 72705301

IUPAC6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C13H9ClN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChIKeyVDIDQANNEVPPIF-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.93
Rot. Bonds1

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

6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 72705301) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID72705301
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C13H9ClN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChIKeyVDIDQANNEVPPIF-UHFFFAOYSA-N
XLogP2.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 72705301) is 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is VDIDQANNEVPPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17).
What are the key properties of 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 256.70 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 72705301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).