(2-aminopyrimidin-4-yl)-phenylmethanone

C11H9N3O — CID 1482461

IUPAC(2-aminopyrimidin-4-yl)-phenylmethanone
SMILESNc1nccc(C(=O)c2ccccc2)n1
InChIInChI=1S/C11H9N3O/c12-11-13-7-6-9(14-11)10(15)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyBSMHWKNFGZOICW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.29
Rot. Bonds2

About (2-aminopyrimidin-4-yl)-phenylmethanone

(2-aminopyrimidin-4-yl)-phenylmethanone (PubChem CID 1482461) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is (2-aminopyrimidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-aminopyrimidin-4-yl)-phenylmethanone
PubChem CID1482461
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name(2-aminopyrimidin-4-yl)-phenylmethanone
SMILESNc1nccc(C(=O)c2ccccc2)n1
InChIInChI=1S/C11H9N3O/c12-11-13-7-6-9(14-11)10(15)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyBSMHWKNFGZOICW-UHFFFAOYSA-N
XLogP1.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-4-yl)-phenylmethanone?
The IUPAC name of (2-aminopyrimidin-4-yl)-phenylmethanone (CID 1482461) is (2-aminopyrimidin-4-yl)-phenylmethanone.
What is the SMILES notation for (2-aminopyrimidin-4-yl)-phenylmethanone?
The canonical SMILES for (2-aminopyrimidin-4-yl)-phenylmethanone is Nc1nccc(C(=O)c2ccccc2)n1.
What is the InChIKey of (2-aminopyrimidin-4-yl)-phenylmethanone?
The InChIKey is BSMHWKNFGZOICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11-13-7-6-9(14-11)10(15)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14).
What are the key properties of (2-aminopyrimidin-4-yl)-phenylmethanone?
(2-aminopyrimidin-4-yl)-phenylmethanone has a molecular weight of 199.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-4-yl)-phenylmethanone is sourced from PubChem (CID 1482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).