7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C13H9Cl2N5 — CID 18530141

IUPAC7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2n1
InChIInChI=1S/C13H9Cl2N5/c14-8-3-1-6(5-9(8)15)10-4-2-7-11(16)19-13(17)20-12(7)18-10/h1-5H,(H4,16,17,18,19,20)
InChIKeyYLTSIGKKTKWYHM-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.16
Rot. Bonds1

About 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 18530141) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID18530141
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2n1
InChIInChI=1S/C13H9Cl2N5/c14-8-3-1-6(5-9(8)15)10-4-2-7-11(16)19-13(17)20-12(7)18-10/h1-5H,(H4,16,17,18,19,20)
InChIKeyYLTSIGKKTKWYHM-UHFFFAOYSA-N
XLogP3.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 18530141) is 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2n1.
What is the InChIKey of 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YLTSIGKKTKWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-8-3-1-6(5-9(8)15)10-4-2-7-11(16)19-13(17)20-12(7)18-10/h1-5H,(H4,16,17,18,19,20).
What are the key properties of 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 18530141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).