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

C18H22FN3O3 — CID 137267579

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1nc(C)c(CCC(=O)N(C)CCOc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-14(18(24)21-13(2)20-12)8-9-17(23)22(3)10-11-25-16-7-5-4-6-15(16)19/h4-7H,8-11H2,1-3H3,(H,20,21,24)
InChIKeyDOKOPOUPFVZSBS-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.00
Rot. Bonds7

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 137267579) 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-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID137267579
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1nc(C)c(CCC(=O)N(C)CCOc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C18H22FN3O3/c1-12-14(18(24)21-13(2)20-12)8-9-17(23)22(3)10-11-25-16-7-5-4-6-15(16)19/h4-7H,8-11H2,1-3H3,(H,20,21,24)
InChIKeyDOKOPOUPFVZSBS-UHFFFAOYSA-N
XLogP2.00
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137276080
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 135901538
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 137276081
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057094
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (CID 137267579) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is Cc1nc(C)c(CCC(=O)N(C)CCOc2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is DOKOPOUPFVZSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-14(18(24)21-13(2)20-12)8-9-17(23)22(3)10-11-25-16-7-5-4-6-15(16)19/h4-7H,8-11H2,1-3H3,(H,20,21,24).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 347.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 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-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 137267579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).