2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide

C19H26N4O — CID 15604467

IUPAC2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)c1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)11-23(12-14(3)4)19-21-16(10-17(22-19)18(20)24)15-8-6-5-7-9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,20,24)
InChIKeyZOXKXOIMJBZKOV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide

2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide (PubChem CID 15604467) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
PubChem CID15604467
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)c1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)11-23(12-14(3)4)19-21-16(10-17(22-19)18(20)24)15-8-6-5-7-9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,20,24)
InChIKeyZOXKXOIMJBZKOV-UHFFFAOYSA-N
XLogP3.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 49867423
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide (CID 15604467) is 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide is CC(C)CN(CC(C)C)c1nc(C(N)=O)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide?
The InChIKey is ZOXKXOIMJBZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)11-23(12-14(3)4)19-21-16(10-17(22-19)18(20)24)15-8-6-5-7-9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,20,24).
What are the key properties of 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide?
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 15604467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).