4-chloro-5-phenylpyrimidin-2-amine

C10H8ClN3 — CID 89417218

IUPAC4-chloro-5-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C10H8ClN3/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyISLPYMCQLRPYLL-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.38
Rot. Bonds1

About 4-chloro-5-phenylpyrimidin-2-amine

4-chloro-5-phenylpyrimidin-2-amine (PubChem CID 89417218) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 4-chloro-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-phenylpyrimidin-2-amine
PubChem CID89417218
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name4-chloro-5-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C10H8ClN3/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyISLPYMCQLRPYLL-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 4-chloro-5-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-phenylpyrimidin-2-amine (CID 89417218) is 4-chloro-5-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-phenylpyrimidin-2-amine is Nc1ncc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4-chloro-5-phenylpyrimidin-2-amine?
The InChIKey is ISLPYMCQLRPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14).
What are the key properties of 4-chloro-5-phenylpyrimidin-2-amine?
4-chloro-5-phenylpyrimidin-2-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 4-chloro-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 89417218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).