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

C16H20N4O — CID 109246891

IUPAC2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-12(2)19-15(21)14-9-17-16(18-10-14)20(3)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyDTMZHJMOVHJXNN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.25
Rot. Bonds5

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

2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109246891) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109246891
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-12(2)19-15(21)14-9-17-16(18-10-14)20(3)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyDTMZHJMOVHJXNN-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.25
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-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
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
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
N-benzyl-N-methyl-5-propan-2-ylpyrimidin-2-amine
CID 130210262
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (CID 109246891) is 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(N(C)Cc2ccccc2)nc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is DTMZHJMOVHJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)19-15(21)14-9-17-16(18-10-14)20(3)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.25, 5 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-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).