5-(4-chlorophenyl)pyrimidin-4-amine

C10H8ClN3 — CID 2735804

IUPAC5-(4-chlorophenyl)pyrimidin-4-amine
SMILESNc1ncncc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)
InChIKeyKGDRSRGXGBIWDQ-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.38
Rot. Bonds1

About 5-(4-chlorophenyl)pyrimidin-4-amine

5-(4-chlorophenyl)pyrimidin-4-amine (PubChem CID 2735804) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)pyrimidin-4-amine
PubChem CID2735804
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name5-(4-chlorophenyl)pyrimidin-4-amine
SMILESNc1ncncc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)
InChIKeyKGDRSRGXGBIWDQ-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)pyrimidin-4-amine (CID 2735804) is 5-(4-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)pyrimidin-4-amine is Nc1ncncc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)pyrimidin-4-amine?
The InChIKey is KGDRSRGXGBIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14).
What are the key properties of 5-(4-chlorophenyl)pyrimidin-4-amine?
5-(4-chlorophenyl)pyrimidin-4-amine has a molecular weight of 205.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 2735804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).