2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide

C12H19N3O — CID 92648513

IUPAC2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cnc(C)nc1C
InChIInChI=1S/C12H19N3O/c1-5-6-8(2)14-12(16)11-7-13-10(4)15-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyYARGHWGTCUWXND-MRVPVSSYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide (PubChem CID 92648513) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
PubChem CID92648513
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cnc(C)nc1C
InChIInChI=1S/C12H19N3O/c1-5-6-8(2)14-12(16)11-7-13-10(4)15-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyYARGHWGTCUWXND-MRVPVSSYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 129930559
5-Acetyl-2,4-dimethylpyrimidine
CID 91947
2-amino-N-[cis-3-(2-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 136664831
N-(2-methoxyethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 44615903
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
CID 46345475
2-(dimethylamino)-7-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136185474
2,4-Dimethylpyrimidine-5-carbaldehyde
CID 23398557
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid butylamide
CID 10850430
4-Methyl-2-(4-methylpiperazin-1-YL)-5-(4-methylpiperazine-1-carbonyl)pyrimidine
CID 46345551
4-Methyl-2-(4-methylpiperazin-1-YL)-5-(piperidine-1-carbonyl)pyrimidine
CID 46345581
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53505870
4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide (CID 92648513) is 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide is CCC[C@@H](C)NC(=O)c1cnc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is YARGHWGTCUWXND-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-6-8(2)14-12(16)11-7-13-10(4)15-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92648513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).