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

C12H18FN3O — CID 102846781

IUPAC3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1ncnc(N(CCCO)C2CCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3
InChIKeyOPRKCWLKPYVCBG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.67
Rot. Bonds5

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

3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 102846781) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID102846781
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1ncnc(N(CCCO)C2CCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3
InChIKeyOPRKCWLKPYVCBG-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol (CID 102846781) is 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1ncnc(N(CCCO)C2CCC2)c1F.
What is the InChIKey of 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is OPRKCWLKPYVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-11(13)12(15-8-14-9)16(6-3-7-17)10-4-2-5-10/h8,10,17H,2-7H2,1H3.
What are the key properties of 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 102846781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).