5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C11H18FN3O — CID 103858529

IUPAC5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCc1ncnc(NCCCC(C)CO)c1F
InChIInChI=1S/C11H18FN3O/c1-8(6-16)4-3-5-13-11-10(12)9(2)14-7-15-11/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGQKKQHXLKLHWEJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.74
Rot. Bonds6

About 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 103858529) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID103858529
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCc1ncnc(NCCCC(C)CO)c1F
InChIInChI=1S/C11H18FN3O/c1-8(6-16)4-3-5-13-11-10(12)9(2)14-7-15-11/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGQKKQHXLKLHWEJ-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 103858529) is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is Cc1ncnc(NCCCC(C)CO)c1F.
What is the InChIKey of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is GQKKQHXLKLHWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-8(6-16)4-3-5-13-11-10(12)9(2)14-7-15-11/h7-8,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 103858529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).