N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C13H14Cl2F3N3O — CID 118031083

IUPACN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCC(C(F)(F)F)CC2)c(Cl)n1
InChIInChI=1S/C13H14Cl2F3N3O/c1-6-19-10(14)9(11(15)20-6)21-12(22)7-2-4-8(5-3-7)13(16,17)18/h7-8H,2-5H2,1H3,(H,21,22)
InChIKeySLULSKCWUMLDDW-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.40
Rot. Bonds2

About N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 118031083) has the molecular formula C13H14Cl2F3N3O and a molecular weight of 356.18 g/mol. Its IUPAC name is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID118031083
Molecular FormulaC13H14Cl2F3N3O
Molecular Weight356.18 g/mol
Exact Mass355.05
IUPAC NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCC(C(F)(F)F)CC2)c(Cl)n1
InChIInChI=1S/C13H14Cl2F3N3O/c1-6-19-10(14)9(11(15)20-6)21-12(22)7-2-4-8(5-3-7)13(16,17)18/h7-8H,2-5H2,1H3,(H,21,22)
InChIKeySLULSKCWUMLDDW-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 118031083) is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1nc(Cl)c(NC(=O)C2CCC(C(F)(F)F)CC2)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is SLULSKCWUMLDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3N3O/c1-6-19-10(14)9(11(15)20-6)21-12(22)7-2-4-8(5-3-7)13(16,17)18/h7-8H,2-5H2,1H3,(H,21,22).
What are the key properties of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 356.18 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118031083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).