6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide

C15H17N3O — CID 141154535

IUPAC6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-10(2)8-12-9-13(14(16)19)18-15(17-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,19)
InChIKeyVPUNXDOANHEQPU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.44
Rot. Bonds4

About 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide

6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 141154535) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID141154535
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-10(2)8-12-9-13(14(16)19)18-15(17-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,19)
InChIKeyVPUNXDOANHEQPU-UHFFFAOYSA-N
XLogP2.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide (CID 141154535) is 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide is CC(C)Cc1cc(C(N)=O)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is VPUNXDOANHEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)8-12-9-13(14(16)19)18-15(17-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,19).
What are the key properties of 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 141154535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).