5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine

C12H18FN3O — CID 66000199

IUPAC5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNZXIYKJGOHJFGX-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.25
Rot. Bonds4

About 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine

5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 66000199) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
PubChem CID66000199
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNZXIYKJGOHJFGX-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine (CID 66000199) is 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCOC2)nc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is NZXIYKJGOHJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-5-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).