2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide

C14H21FN4O2 — CID 156606013

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NCC2CC(F)CN2)c(=O)[nH]1
InChIInChI=1S/C14H21FN4O2/c1-3-12-18-8(2)11(14(21)19-12)5-13(20)17-7-10-4-9(15)6-16-10/h9-10,16H,3-7H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyYTURPVKMJKWLBK-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.00
Rot. Bonds5

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide (PubChem CID 156606013) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide
PubChem CID156606013
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide
SMILESCCc1nc(C)c(CC(=O)NCC2CC(F)CN2)c(=O)[nH]1
InChIInChI=1S/C14H21FN4O2/c1-3-12-18-8(2)11(14(21)19-12)5-13(20)17-7-10-4-9(15)6-16-10/h9-10,16H,3-7H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyYTURPVKMJKWLBK-UHFFFAOYSA-N
XLogP-0.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-(cyclopropylmethyl)-7-[(1-isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232514
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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 137161910
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 137161911
2-tert-butyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137850935
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
CID 136100652
2-ethyl-6-methyl-5-{2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}pyrimidin-4(3H)-one
CID 136109800
2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylacetamide
CID 135741921
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
CID 135896883
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 135896884
N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896885
N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896887

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide (CID 156606013) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide is CCc1nc(C)c(CC(=O)NCC2CC(F)CN2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide?
The InChIKey is YTURPVKMJKWLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-3-12-18-8(2)11(14(21)19-12)5-13(20)17-7-10-4-9(15)6-16-10/h9-10,16H,3-7H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-fluoropyrrolidin-2-yl)methyl]acetamide has a molecular weight of 296.35 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 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-[(4-fluoropyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 156606013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).