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

C13H21N3O — CID 97313105

IUPACN,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(C)[C@H](C)CC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)8-10(3)16(5)13(17)12-6-7-14-11(4)15-12/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1
InChIKeyBGTOAWIMOTYRRK-SNVBAGLBSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds4

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

N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide (PubChem CID 97313105) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
PubChem CID97313105
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(C)[C@H](C)CC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)8-10(3)16(5)13(17)12-6-7-14-11(4)15-12/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1
InChIKeyBGTOAWIMOTYRRK-SNVBAGLBSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide
CID 95782131
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
2-amino-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 62058999
1-(2-methylpyrimidin-4-yl)butan-1-one
CID 23333315
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
ethyl 3-methyl-2-(2-methylpyrimidine-4-carbonyl)butanoate
CID 113329644
2-bromo-1-(2-methylpyrimidin-4-yl)ethanone
CID 130867076
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide (CID 97313105) is N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)N(C)[C@H](C)CC(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is BGTOAWIMOTYRRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)8-10(3)16(5)13(17)12-6-7-14-11(4)15-12/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide?
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 97313105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).