6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C14H14F3N5O2 — CID 136539684

IUPAC6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C14H14F3N5O2/c1-8-5-10(22-13(18-2)20-8)12(23)21-9-3-4-11(19-6-9)24-7-14(15,16)17/h3-6H,7H2,1-2H3,(H,21,23)(H,18,20,22)
InChIKeyYUHRGACBAQKUFU-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.42
Rot. Bonds5

About 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 136539684) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID136539684
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C14H14F3N5O2/c1-8-5-10(22-13(18-2)20-8)12(23)21-9-3-4-11(19-6-9)24-7-14(15,16)17/h3-6H,7H2,1-2H3,(H,21,23)(H,18,20,22)
InChIKeyYUHRGACBAQKUFU-UHFFFAOYSA-N
XLogP2.42
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
2-[2,6-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 120549355
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807354
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566306
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 46467097
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109335176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 136539684) is 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is YUHRGACBAQKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-8-5-10(22-13(18-2)20-8)12(23)21-9-3-4-11(19-6-9)24-7-14(15,16)17/h3-6H,7H2,1-2H3,(H,21,23)(H,18,20,22).
What are the key properties of 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 136539684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).