3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide

C18H19F2N3O — CID 132971349

IUPAC3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(F)(F)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19F2N3O/c1-12-10-15(22-16(21-12)13-6-3-2-4-7-13)23-17(24)14-8-5-9-18(19,20)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,22,23,24)
InChIKeyBSMXXRJRYFTETQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.22
Rot. Bonds3

About 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide

3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 132971349) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
PubChem CID132971349
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(F)(F)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19F2N3O/c1-12-10-15(22-16(21-12)13-6-3-2-4-7-13)23-17(24)14-8-5-9-18(19,20)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,22,23,24)
InChIKeyBSMXXRJRYFTETQ-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide (CID 132971349) is 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCC(F)(F)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is BSMXXRJRYFTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-10-15(22-16(21-12)13-6-3-2-4-7-13)23-17(24)14-8-5-9-18(19,20)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,22,23,24).
What are the key properties of 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 132971349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).