4-phenylpyrimidin-2-amine

C10H9N3 — CID 598777

IUPAC4-phenylpyrimidin-2-amine
SMILESNc1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyDMEGQEWPMXDRMO-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.73
Rot. Bonds1

About 4-phenylpyrimidin-2-amine

4-phenylpyrimidin-2-amine (PubChem CID 598777) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-phenylpyrimidin-2-amine
PubChem CID598777
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4-phenylpyrimidin-2-amine
SMILESNc1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyDMEGQEWPMXDRMO-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimidin-2-amine?
The IUPAC name of 4-phenylpyrimidin-2-amine (CID 598777) is 4-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-phenylpyrimidin-2-amine?
The canonical SMILES for 4-phenylpyrimidin-2-amine is Nc1nccc(-c2ccccc2)n1.
What is the InChIKey of 4-phenylpyrimidin-2-amine?
The InChIKey is DMEGQEWPMXDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13).
What are the key properties of 4-phenylpyrimidin-2-amine?
4-phenylpyrimidin-2-amine has a molecular weight of 171.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimidin-2-amine is sourced from PubChem (CID 598777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).