4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine

C7H9F2N3 — CID 178103545

IUPAC4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(C(C)(F)F)n1
InChIInChI=1S/C7H9F2N3/c1-7(8,9)5-3-4-11-6(10-2)12-5/h3-4H,1-2H3,(H,10,11,12)
InChIKeyUVMAWPHKEHGLJF-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.63
Rot. Bonds2

About 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine

4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine (PubChem CID 178103545) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
PubChem CID178103545
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(C(C)(F)F)n1
InChIInChI=1S/C7H9F2N3/c1-7(8,9)5-3-4-11-6(10-2)12-5/h3-4H,1-2H3,(H,10,11,12)
InChIKeyUVMAWPHKEHGLJF-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
CID 155978274
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 105418954
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-4-(1,1-difluoroethyl)pyrimidin-2-amine
CID 166331256
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
4-ethynyl-N-methylpyrimidin-2-amine
CID 89485713
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
CID 89432261

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine (CID 178103545) is 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine is CNc1nccc(C(C)(F)F)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine?
The InChIKey is UVMAWPHKEHGLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c1-7(8,9)5-3-4-11-6(10-2)12-5/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine?
4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine has a molecular weight of 173.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 178103545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).