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

C13H21FN4O — CID 79088445

IUPAC5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(C)c1F
InChIInChI=1S/C13H21FN4O/c1-4-5-15-13-11(14)9(2)16-12(17-13)10-8-18(3)6-7-19-10/h10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyHEXCYQMAKHVLNC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.75
Rot. Bonds4

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

5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 79088445) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
PubChem CID79088445
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(C)c1F
InChIInChI=1S/C13H21FN4O/c1-4-5-15-13-11(14)9(2)16-12(17-13)10-8-18(3)6-7-19-10/h10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyHEXCYQMAKHVLNC-UHFFFAOYSA-N
XLogP1.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine (CID 79088445) is 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CN(C)CCO2)nc(C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is HEXCYQMAKHVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-4-5-15-13-11(14)9(2)16-12(17-13)10-8-18(3)6-7-19-10/h10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine?
5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79088445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).