3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide

C12H16FN3O3 — CID 71019137

IUPAC3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide
SMILESNC(=O)C(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C12H16FN3O3/c13-3-4-16-10(17)6-9(15-12(16)19)8(11(14)18)5-7-1-2-7/h6-8H,1-5H2,(H2,14,18)(H,15,19)
InChIKeyPGSIWPASMBHMLY-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.12
Rot. Bonds6

About 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide

3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide (PubChem CID 71019137) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide
PubChem CID71019137
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide
SMILESNC(=O)C(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C12H16FN3O3/c13-3-4-16-10(17)6-9(15-12(16)19)8(11(14)18)5-7-1-2-7/h6-8H,1-5H2,(H2,14,18)(H,15,19)
InChIKeyPGSIWPASMBHMLY-UHFFFAOYSA-N
XLogP-0.12
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Butyl-6-methyl-5-(3-methylbutyl)-2,4(1H,3H)-pyrimidinedione
CID 3021982
3-cyclopropyl-2-[3-(2-fluoroethyl)-2-oxo-4-sulfanylidene-1H-pyrimidin-6-yl]propanamide
CID 143790276
6-(Cyclopropylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239166
6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 138030330
6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 143790180
6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167970103
6-(1-cyclopropylpropan-2-yl)-3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione;formamide
CID 143790179
6-Cyclopentyl-3-cyclopropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239082
6-(Cyclopropylmethyl)-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239125
6-(Cyclopropylmethyl)-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239184

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide?
The IUPAC name of 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide (CID 71019137) is 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide.
What is the SMILES notation for 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide?
The canonical SMILES for 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide is NC(=O)C(CC1CC1)c1cc(=O)n(CCF)c(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide?
The InChIKey is PGSIWPASMBHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-3-4-16-10(17)6-9(15-12(16)19)8(11(14)18)5-7-1-2-7/h6-8H,1-5H2,(H2,14,18)(H,15,19).
What are the key properties of 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide?
3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide has a molecular weight of 269.28 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propanamide is sourced from PubChem (CID 71019137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).