1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide

C12H16F3N5O — CID 106769882

IUPAC1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNc1cc(N2CCCC(C(N)=O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-17-8-5-9(19-11(18-8)12(13,14)15)20-4-2-3-7(6-20)10(16)21/h5,7H,2-4,6H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyLYECAZVECOQSHO-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.24
Rot. Bonds3

About 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide

1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 106769882) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID106769882
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNc1cc(N2CCCC(C(N)=O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-17-8-5-9(19-11(18-8)12(13,14)15)20-4-2-3-7(6-20)10(16)21/h5,7H,2-4,6H2,1H3,(H2,16,21)(H,17,18,19)
InChIKeyLYECAZVECOQSHO-UHFFFAOYSA-N
XLogP1.24
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80960881
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
CID 114765128
1-(6-hydrazinyl-2-pyridinyl)piperidine-3-carboxamide
CID 80918435
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 106769882) is 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide is CNc1cc(N2CCCC(C(N)=O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is LYECAZVECOQSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-17-8-5-9(19-11(18-8)12(13,14)15)20-4-2-3-7(6-20)10(16)21/h5,7H,2-4,6H2,1H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide?
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 106769882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).