4-(4-amino-2-chlorophenyl)pyrimidin-2-amine

C10H9ClN4 — CID 118540127

IUPAC4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
SMILESNc1ccc(-c2ccnc(N)n2)c(Cl)c1
InChIInChI=1S/C10H9ClN4/c11-8-5-6(12)1-2-7(8)9-3-4-14-10(13)15-9/h1-5H,12H2,(H2,13,14,15)
InChIKeyMSSRIWBAMFKJKM-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.96
Rot. Bonds1

About 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine

4-(4-amino-2-chlorophenyl)pyrimidin-2-amine (PubChem CID 118540127) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
PubChem CID118540127
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
SMILESNc1ccc(-c2ccnc(N)n2)c(Cl)c1
InChIInChI=1S/C10H9ClN4/c11-8-5-6(12)1-2-7(8)9-3-4-14-10(13)15-9/h1-5H,12H2,(H2,13,14,15)
InChIKeyMSSRIWBAMFKJKM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine (CID 118540127) is 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine is Nc1ccc(-c2ccnc(N)n2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine?
The InChIKey is MSSRIWBAMFKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-8-5-6(12)1-2-7(8)9-3-4-14-10(13)15-9/h1-5H,12H2,(H2,13,14,15).
What are the key properties of 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine?
4-(4-amino-2-chlorophenyl)pyrimidin-2-amine 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 4-(4-amino-2-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 118540127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).