2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

C17H26N4O3 — CID 136756324

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-5-14-19-11(4)13(17(24)20-14)7-15(22)18-8-12-6-16(23)21(9-12)10(2)3/h10,12H,5-9H2,1-4H3,(H,18,22)(H,19,20,24)/t12-/m0/s1
InChIKeyXJBSWRXZLNTMAX-LBPRGKRZSA-N
MW334.42 g/mol
LogP0.56
Rot. Bonds6

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 136756324) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
PubChem CID136756324
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-5-14-19-11(4)13(17(24)20-14)7-15(22)18-8-12-6-16(23)21(9-12)10(2)3/h10,12H,5-9H2,1-4H3,(H,18,22)(H,19,20,24)/t12-/m0/s1
InChIKeyXJBSWRXZLNTMAX-LBPRGKRZSA-N
XLogP0.56
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
CID 136696882
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
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-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 136662139
acetic acid;(3S,6R)-6-amino-1-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]azepane-3-carboxylic acid
CID 171707324
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
2-methoxy-6-methyl-N-[[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]benzamide
CID 125163766
(1S,5R)-7-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 163306087
2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 91768311

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (CID 136756324) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is CCc1nc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is XJBSWRXZLNTMAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-14-19-11(4)13(17(24)20-14)7-15(22)18-8-12-6-16(23)21(9-12)10(2)3/h10,12H,5-9H2,1-4H3,(H,18,22)(H,19,20,24)/t12-/m0/s1.
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 136756324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).