2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide

C22H24N4O — CID 109248973

IUPAC2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H24N4O/c1-3-17(2)25-21(27)19-14-23-22(24-15-19)26(20-12-8-5-9-13-20)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,25,27)
InChIKeyWMGJOVKPQYGBER-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.34
Rot. Bonds7

About 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide

2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide (PubChem CID 109248973) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
PubChem CID109248973
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H24N4O/c1-3-17(2)25-21(27)19-14-23-22(24-15-19)26(20-12-8-5-9-13-20)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,25,27)
InChIKeyWMGJOVKPQYGBER-UHFFFAOYSA-N
XLogP4.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
azepan-1-yl-[2-(N-benzylanilino)pyrimidin-5-yl]methanone
CID 109264918
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide (CID 109248973) is 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The InChIKey is WMGJOVKPQYGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-17(2)25-21(27)19-14-23-22(24-15-19)26(20-12-8-5-9-13-20)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109248973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).