3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide

C18H22FN3O3 — CID 135901538

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCCCOc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-14(18(24)22-13(2)21-12)8-9-17(23)20-10-5-11-25-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyKYPKSYGPWPTGGL-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.04
Rot. Bonds8

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide (PubChem CID 135901538) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
PubChem CID135901538
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCCCOc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-14(18(24)22-13(2)21-12)8-9-17(23)20-10-5-11-25-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyKYPKSYGPWPTGGL-UHFFFAOYSA-N
XLogP2.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 137267579
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 18120342
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137276080
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135783257

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide (CID 135901538) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide is Cc1nc(C)c(CCC(=O)NCCCOc2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The InChIKey is KYPKSYGPWPTGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-14(18(24)22-13(2)21-12)8-9-17(23)20-10-5-11-25-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide has a molecular weight of 347.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 135901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).