N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide

C15H21F2N3O — CID 146121815

IUPACN-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCCC(F)(F)C2)cn1
InChIInChI=1S/C15H21F2N3O/c1-14(2,3)13-18-8-11(9-19-13)20-12(21)10-5-4-6-15(16,17)7-10/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyGNYKGCICIHCBPB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.54
Rot. Bonds2

About N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide

N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 146121815) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
PubChem CID146121815
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCCC(F)(F)C2)cn1
InChIInChI=1S/C15H21F2N3O/c1-14(2,3)13-18-8-11(9-19-13)20-12(21)10-5-4-6-15(16,17)7-10/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyGNYKGCICIHCBPB-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide
CID 119752735
(1S)-N-(2-aminosulfanyl-4-pyridinyl)-3,3-difluorocyclohexane-1-carboxamide;1,2-dichlorobenzene
CID 177192771

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide (CID 146121815) is N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide is CC(C)(C)c1ncc(NC(=O)C2CCCC(F)(F)C2)cn1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is GNYKGCICIHCBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-14(2,3)13-18-8-11(9-19-13)20-12(21)10-5-4-6-15(16,17)7-10/h8-10H,4-7H2,1-3H3,(H,20,21).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 146121815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).