N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C19H26N4O — CID 109330364

IUPACN-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-4-5-13-23(3)18(24)17-14-15(2)21-19(22-17)20-12-11-16-9-7-6-8-10-16/h6-10,14H,4-5,11-13H2,1-3H3,(H,20,21,22)
InChIKeyRWOSVTXWMMYKKJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.31
Rot. Bonds8

About N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109330364) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109330364
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-4-5-13-23(3)18(24)17-14-15(2)21-19(22-17)20-12-11-16-9-7-6-8-10-16/h6-10,14H,4-5,11-13H2,1-3H3,(H,20,21,22)
InChIKeyRWOSVTXWMMYKKJ-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109332567
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109330815
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109330364) is N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is RWOSVTXWMMYKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-5-13-23(3)18(24)17-14-15(2)21-19(22-17)20-12-11-16-9-7-6-8-10-16/h6-10,14H,4-5,11-13H2,1-3H3,(H,20,21,22).
What are the key properties of N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).