3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol

C9H13F2N3O — CID 103858194

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESCc1cc(C)nc(NCC(O)C(F)F)n1
InChIInChI=1S/C9H13F2N3O/c1-5-3-6(2)14-9(13-5)12-4-7(15)8(10)11/h3,7-8,15H,4H2,1-2H3,(H,12,13,14)
InChIKeyYZCZWEAJIRGIEB-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.13
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103858194) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID103858194
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESCc1cc(C)nc(NCC(O)C(F)F)n1
InChIInChI=1S/C9H13F2N3O/c1-5-3-6(2)14-9(13-5)12-4-7(15)8(10)11/h3,7-8,15H,4H2,1-2H3,(H,12,13,14)
InChIKeyYZCZWEAJIRGIEB-UHFFFAOYSA-N
XLogP1.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094119
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
CID 133308213
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
N-(2-chloro-4,4-dimethylpentyl)-4,6-dimethylpyrimidin-2-amine
CID 107156052

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol (CID 103858194) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol is Cc1cc(C)nc(NCC(O)C(F)F)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is YZCZWEAJIRGIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5-3-6(2)14-9(13-5)12-4-7(15)8(10)11/h3,7-8,15H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103858194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).