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

C13H20FN3O — CID 113362259

IUPAC5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C13H20FN3O/c1-3-5-15-13-12(14)9(2)16-11(17-13)7-10-4-6-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJBDGTRRAPAPLQC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.33
Rot. Bonds5

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

5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 113362259) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
PubChem CID113362259
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C13H20FN3O/c1-3-5-15-13-12(14)9(2)16-11(17-13)7-10-4-6-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJBDGTRRAPAPLQC-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.33
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-ylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine (CID 113362259) is 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC2CCOC2)nc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is JBDGTRRAPAPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-5-15-13-12(14)9(2)16-11(17-13)7-10-4-6-18-8-10/h10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine?
5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.33, 5 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-ylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113362259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).