2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H11ClF3N3O2 — CID 114584717

IUPAC2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc(Cl)cc1=O)NCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3O2/c12-7-3-9(20)18(10(17-7)6-1-2-6)4-8(19)16-5-11(13,14)15/h3,6H,1-2,4-5H2,(H,16,19)
InChIKeyDRTVZGFBLFTAKT-UHFFFAOYSA-N
MW309.68 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114584717) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114584717
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc(Cl)cc1=O)NCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3O2/c12-7-3-9(20)18(10(17-7)6-1-2-6)4-8(19)16-5-11(13,14)15/h3,6H,1-2,4-5H2,(H,16,19)
InChIKeyDRTVZGFBLFTAKT-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
6-Chloro-2-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604553
6-Chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584528
6-Chloro-2-cyclopropyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584538
6-Chloro-2-cyclopropyl-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114584636
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 113604528
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 113604543
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 113604560

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114584717) is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1c(C2CC2)nc(Cl)cc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DRTVZGFBLFTAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c12-7-3-9(20)18(10(17-7)6-1-2-6)4-8(19)16-5-11(13,14)15/h3,6H,1-2,4-5H2,(H,16,19).
What are the key properties of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.68 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114584717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).