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

C8H12FN3O — CID 115416506

IUPAC2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-8(2,4-13)12-7-3-6(9)10-5-11-7/h3,5,13H,4H2,1-2H3,(H,10,11,12)
InChIKeyCORQUZKUYMLMJG-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.80
Rot. Bonds3

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

2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 115416506) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID115416506
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-8(2,4-13)12-7-3-6(9)10-5-11-7/h3,5,13H,4H2,1-2H3,(H,10,11,12)
InChIKeyCORQUZKUYMLMJG-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol
CID 115416509
1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154916
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
CID 130913826
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197098
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 64558196
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550559

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 115416506) is 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1cc(F)ncn1.
What is the InChIKey of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is CORQUZKUYMLMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-8(2,4-13)12-7-3-6(9)10-5-11-7/h3,5,13H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 185.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).