2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide

C19H22FN3O4 — CID 136607705

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O4/c1-11-15(19(25)22-12(2)21-11)9-18(24)23-16-10-26-7-6-17(16)27-14-5-3-4-13(20)8-14/h3-5,8,16-17H,6-7,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,17+/m1/s1
InChIKeyYMEQIMGFCVMDFT-SJORKVTESA-N
MW375.40 g/mol
LogP1.42
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide (PubChem CID 136607705) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
PubChem CID136607705
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O4/c1-11-15(19(25)22-12(2)21-11)9-18(24)23-16-10-26-7-6-17(16)27-14-5-3-4-13(20)8-14/h3-5,8,16-17H,6-7,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,17+/m1/s1
InChIKeyYMEQIMGFCVMDFT-SJORKVTESA-N
XLogP1.42
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]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

2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide
CID 91786082
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91790883
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide (CID 136607705) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The InChIKey is YMEQIMGFCVMDFT-SJORKVTESA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-11-15(19(25)22-12(2)21-11)9-18(24)23-16-10-26-7-6-17(16)27-14-5-3-4-13(20)8-14/h3-5,8,16-17H,6-7,9-10H2,1-2H3,(H,23,24)(H,21,22,25)/t16-,17+/m1/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 136607705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).