5-(3-chlorophenyl)pyrimidine-2,4-diamine

C10H9ClN4 — CID 23423601

IUPAC5-(3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(Cl)c2)c(N)n1
InChIInChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyQUIKQBNBFYGSQZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.96
Rot. Bonds1

About 5-(3-chlorophenyl)pyrimidine-2,4-diamine

5-(3-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 23423601) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-(3-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID23423601
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name5-(3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(Cl)c2)c(N)n1
InChIInChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyQUIKQBNBFYGSQZ-UHFFFAOYSA-N
XLogP1.96
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)pyrimidine-2,4-diamine (CID 23423601) is 5-(3-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)pyrimidine-2,4-diamine is Nc1ncc(-c2cccc(Cl)c2)c(N)n1.
What is the InChIKey of 5-(3-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is QUIKQBNBFYGSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15).
What are the key properties of 5-(3-chlorophenyl)pyrimidine-2,4-diamine?
5-(3-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 220.66 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23423601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).