2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

C16H23N5O2 — CID 136662139

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCCc1nc(C)c(CC(=O)NC(C)CCn2cccn2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-4-14-19-12(3)13(16(23)20-14)10-15(22)18-11(2)6-9-21-8-5-7-17-21/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyKKWXLFBFNOUNCO-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.97
Rot. Bonds7

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (PubChem CID 136662139) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
PubChem CID136662139
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCCc1nc(C)c(CC(=O)NC(C)CCn2cccn2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O2/c1-4-14-19-12(3)13(16(23)20-14)10-15(22)18-11(2)6-9-21-8-5-7-17-21/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyKKWXLFBFNOUNCO-UHFFFAOYSA-N
XLogP0.97
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
CID 136915020
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]acetamide
CID 99985610
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 136665365
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405
(2R)-N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)propanamide
CID 103952287
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91768318
2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91792054
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (CID 136662139) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is CCc1nc(C)c(CC(=O)NC(C)CCn2cccn2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The InChIKey is KKWXLFBFNOUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-14-19-12(3)13(16(23)20-14)10-15(22)18-11(2)6-9-21-8-5-7-17-21/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 136662139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).