2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide

C19H22FN3O3 — CID 136876879

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O3/c1-11-15(19(25)22-12(2)21-11)10-17(24)23-18(16-4-3-9-26-16)13-5-7-14(20)8-6-13/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,18-/m0/s1
InChIKeyHDJVYFBPRGJYBE-WMZOPIPTSA-N
MW359.40 g/mol
LogP2.10
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 136876879) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID136876879
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O3/c1-11-15(19(25)22-12(2)21-11)10-17(24)23-18(16-4-3-9-26-16)13-5-7-14(20)8-6-13/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,18-/m0/s1
InChIKeyHDJVYFBPRGJYBE-WMZOPIPTSA-N
XLogP2.10
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665194
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide (CID 136876879) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is HDJVYFBPRGJYBE-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-11-15(19(25)22-12(2)21-11)10-17(24)23-18(16-4-3-9-26-16)13-5-7-14(20)8-6-13/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,18-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 136876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).