2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide

C17H22N4O — CID 109248842

IUPAC2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-4-13(2)20-16(22)15-10-18-17(19-11-15)21(3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeySNSSAOQGFBJIRF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide (PubChem CID 109248842) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
PubChem CID109248842
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-4-13(2)20-16(22)15-10-18-17(19-11-15)21(3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeySNSSAOQGFBJIRF-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
ethyl 2-[[2-[benzyl(methyl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109256866
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide (CID 109248842) is 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide?
The InChIKey is SNSSAOQGFBJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13(2)20-16(22)15-10-18-17(19-11-15)21(3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109248842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).