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

C10H9ClN4 — CID 504350

IUPAC4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(12)15-9/h1-6H,(H3,12,13,14,15)
InChIKeyDEXXTSDSAGXBAR-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.46
Rot. Bonds2

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

4-N-(3-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 504350) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID504350
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(12)15-9/h1-6H,(H3,12,13,14,15)
InChIKeyDEXXTSDSAGXBAR-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine (CID 504350) is 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is DEXXTSDSAGXBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-7-2-1-3-8(6-7)14-9-4-5-13-10(12)15-9/h1-6H,(H3,12,13,14,15).
What are the key properties of 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 220.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).