1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

C8H12FN3O — CID 126849133

IUPAC1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(CF)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(13)4-10-8-2-7(3-9)11-5-12-8/h2,5-6,13H,3-4H2,1H3,(H,10,11,12)
InChIKeyKJPRIYOKMKHVDV-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.74
Rot. Bonds4

About 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 126849133) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID126849133
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(CF)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(13)4-10-8-2-7(3-9)11-5-12-8/h2,5-6,13H,3-4H2,1H3,(H,10,11,12)
InChIKeyKJPRIYOKMKHVDV-UHFFFAOYSA-N
XLogP0.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
CID 126849132
6-ethyl-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102699039
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
CID 103731287
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
(3S,4S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063835
1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154916
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 126849133) is 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is CC(O)CNc1cc(CF)ncn1.
What is the InChIKey of 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is KJPRIYOKMKHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(13)4-10-8-2-7(3-9)11-5-12-8/h2,5-6,13H,3-4H2,1H3,(H,10,11,12).
What are the key properties of 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 185.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 126849133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).