6-phenylpyrimidine-4-carboxamide

C11H9N3O — CID 12582963

IUPAC6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H9N3O/c12-11(15)10-6-9(13-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeySPVLPRBOXBUXMO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.24
Rot. Bonds2

About 6-phenylpyrimidine-4-carboxamide

6-phenylpyrimidine-4-carboxamide (PubChem CID 12582963) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenylpyrimidine-4-carboxamide
PubChem CID12582963
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H9N3O/c12-11(15)10-6-9(13-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeySPVLPRBOXBUXMO-UHFFFAOYSA-N
XLogP1.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-phenylpyrimidine-4-carboxamide (CID 12582963) is 6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 6-phenylpyrimidine-4-carboxamide?
The InChIKey is SPVLPRBOXBUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11(15)10-6-9(13-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,12,15).
What are the key properties of 6-phenylpyrimidine-4-carboxamide?
6-phenylpyrimidine-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 12582963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).