N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C12H19N3O2 — CID 135896887

IUPACN-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-5-7(2)13-11(16)6-10-8(3)14-9(4)15-12(10)17/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)/t7-/m1/s1
InChIKeySTIJTYLPJBQNHO-SSDOTTSWSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135896887) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135896887
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-5-7(2)13-11(16)6-10-8(3)14-9(4)15-12(10)17/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)/t7-/m1/s1
InChIKeySTIJTYLPJBQNHO-SSDOTTSWSA-N
XLogP0.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136089133
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido(4,5-d)azepin-4-one dihydrochloride
CID 154857238
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896975
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
2,4-dimethyl-5-[1-(3,3,3-trifluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136043593
2,4-dimethyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091214
2-(2-ethyl-4-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-{[(2S,4S)-4-fluoro-2-pyrrolidinyl]methyl}acetamide hydrochloride
CID 136252921
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772
5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136758124

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135896887) is N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC[C@@H](C)NC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is STIJTYLPJBQNHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-7(2)13-11(16)6-10-8(3)14-9(4)15-12(10)17/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)/t7-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135896887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).