1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

C12H19FN4O — CID 115417048

IUPAC1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H19FN4O/c1-12(2,18)8-16-3-5-17(6-4-16)11-7-10(13)14-9-15-11/h7,9,18H,3-6,8H2,1-2H3
InChIKeyAHIDUJGEJZGCJB-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.51
Rot. Bonds3

About 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 115417048) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID115417048
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H19FN4O/c1-12(2,18)8-16-3-5-17(6-4-16)11-7-10(13)14-9-15-11/h7,9,18H,3-6,8H2,1-2H3
InChIKeyAHIDUJGEJZGCJB-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-[(2-Hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 75524466
1-[Methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
6-(2,6-dimethylmorpholino)-N,N-dimethylpyrimidin-4-amine
CID 121020739
1-[4-(6-Fluoropyrimidin-4-yl)piperazin-1-yl]ethanone
CID 115416365
2-[4-(5-Fluoro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 143431082
tert-butyl (2S)-4-(6-fluoropyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 172271838
tert-butyl (3R)-4-(6-fluoropyrimidin-4-yl)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 176087125
tert-butyl (3R)-4-(6-fluoropyrimidin-4-yl)-3-(methoxymethyl)piperazine-1-carboxylate
CID 176087140
tert-butyl (3S)-4-(6-fluoropyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 178182876
N,N-dimethyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56862807
N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56869376
2-{4-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]piperazin-1-YL}ethanol
CID 72867759

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (CID 115417048) is 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is AHIDUJGEJZGCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-12(2,18)8-16-3-5-17(6-4-16)11-7-10(13)14-9-15-11/h7,9,18H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 254.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 115417048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).