[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol

C7H9F2N3O — CID 126974118

IUPAC[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
SMILESCNc1ncc(CO)c(C(F)F)n1
InChIInChI=1S/C7H9F2N3O/c1-10-7-11-2-4(3-13)5(12-7)6(8)9/h2,6,13H,3H2,1H3,(H,10,11,12)
InChIKeyLPUXSXXHWCLYLF-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.95
Rot. Bonds3

About [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol (PubChem CID 126974118) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
PubChem CID126974118
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
SMILESCNc1ncc(CO)c(C(F)F)n1
InChIInChI=1S/C7H9F2N3O/c1-10-7-11-2-4(3-13)5(12-7)6(8)9/h2,6,13H,3H2,1H3,(H,10,11,12)
InChIKeyLPUXSXXHWCLYLF-UHFFFAOYSA-N
XLogP0.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
CID 130483355
[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 170542917
[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
CID 114205186
[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
CID 114205178
[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 114205177
[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 114205166
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane
CID 163389278
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206931

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol (CID 126974118) is [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol is CNc1ncc(CO)c(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol?
The InChIKey is LPUXSXXHWCLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-10-7-11-2-4(3-13)5(12-7)6(8)9/h2,6,13H,3H2,1H3,(H,10,11,12).
What are the key properties of [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol has a molecular weight of 189.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 126974118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).