3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C11H18FN3O — CID 103703927

IUPAC3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1ncnc(NC(CCO)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-7(2)9(4-5-16)15-11-10(12)8(3)13-6-14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUSFOXPUFTUGSBJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.74
Rot. Bonds5

About 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 103703927) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID103703927
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1ncnc(NC(CCO)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-7(2)9(4-5-16)15-11-10(12)8(3)13-6-14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUSFOXPUFTUGSBJ-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

(1-{3-[(5,6-Dimethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72906961
2-[[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 71906577
[3-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 132386722
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
5-fluoro-6-methyl-2-(oxan-4-yl)-N-propylpyrimidin-4-amine
CID 65997614
N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 65999597
N-ethyl-5-fluoro-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 65999993
5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66000199
5-fluoro-6-methyl-2-(oxan-3-yl)-N-propylpyrimidin-4-amine
CID 66000399
N-ethyl-5-fluoro-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66000592
trans-(1S,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059008
cis-(1S,2R)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059009

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 103703927) is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is Cc1ncnc(NC(CCO)C(C)C)c1F.
What is the InChIKey of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is USFOXPUFTUGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-7(2)9(4-5-16)15-11-10(12)8(3)13-6-14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 103703927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).