N-phenylpyrimidin-2-amine

C10H9N3 — CID 11643997

IUPACN-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
InChIKeyXGXNTJHZPBRBHJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.22
Rot. Bonds2

About N-phenylpyrimidin-2-amine

N-phenylpyrimidin-2-amine (PubChem CID 11643997) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-phenylpyrimidin-2-amine
PubChem CID11643997
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC NameN-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
InChIKeyXGXNTJHZPBRBHJ-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenylpyrimidin-2-amine?
The IUPAC name of N-phenylpyrimidin-2-amine (CID 11643997) is N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-phenylpyrimidin-2-amine?
The canonical SMILES for N-phenylpyrimidin-2-amine is c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-phenylpyrimidin-2-amine?
The InChIKey is XGXNTJHZPBRBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13).
What are the key properties of N-phenylpyrimidin-2-amine?
N-phenylpyrimidin-2-amine has a molecular weight of 171.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrimidin-2-amine is sourced from PubChem (CID 11643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).