2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide

C11H7ClF3N5O2 — CID 175353377

IUPAC2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cncnc1OC(F)C(F)F)c1ccnc(Cl)n1
InChIInChI=1S/C11H7ClF3N5O2/c12-11-17-2-1-5(20-11)9(21)19-6-3-16-4-18-10(6)22-8(15)7(13)14/h1-4,7-8H,(H,19,21)
InChIKeyLRBPENJLFBKOMG-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide

2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide (PubChem CID 175353377) has the molecular formula C11H7ClF3N5O2 and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
PubChem CID175353377
Molecular FormulaC11H7ClF3N5O2
Molecular Weight333.66 g/mol
Exact Mass333.02
IUPAC Name2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cncnc1OC(F)C(F)F)c1ccnc(Cl)n1
InChIInChI=1S/C11H7ClF3N5O2/c12-11-17-2-1-5(20-11)9(21)19-6-3-16-4-18-10(6)22-8(15)7(13)14/h1-4,7-8H,(H,19,21)
InChIKeyLRBPENJLFBKOMG-UHFFFAOYSA-N
XLogP2.11
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-fluoroanilino)-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 175353463
2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 175353440
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxamide
CID 175353421
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 175083875
2-chloro-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide;2-chloropyrimidine-4-carboxylic acid;deuterio(fluoro)methane;4-(4-fluorophenyl)pyridin-3-amine
CID 159764537
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
6-(2,6-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]pyrimidin-5-yl]-5-fluoropyridine-2-carboxamide
CID 118416976
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[4-(methylamino)butoxy]pyrimidin-5-yl]pyridine-2-carboxamide
CID 118416958
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide (CID 175353377) is 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide is O=C(Nc1cncnc1OC(F)C(F)F)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The InChIKey is LRBPENJLFBKOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N5O2/c12-11-17-2-1-5(20-11)9(21)19-6-3-16-4-18-10(6)22-8(15)7(13)14/h1-4,7-8H,(H,19,21).
What are the key properties of 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide has a molecular weight of 333.66 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175353377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).