6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one

C14H20FN5O2 — CID 91799576

IUPAC6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one
SMILESC[C@@H]1COCCN1C1NC(c2ncncc2F)CC(=O)N1C
InChIInChI=1S/C14H20FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h6,8-9,11,14,18H,3-5,7H2,1-2H3/t9-,11?,14?/m1/s1
InChIKeyUHLUAFYKWUWUKT-FDMSEYEVSA-N
MW309.35 g/mol
LogP0.11
Rot. Bonds2

About 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one

6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one (PubChem CID 91799576) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one
PubChem CID91799576
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one
SMILESC[C@@H]1COCCN1C1NC(c2ncncc2F)CC(=O)N1C
InChIInChI=1S/C14H20FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h6,8-9,11,14,18H,3-5,7H2,1-2H3/t9-,11?,14?/m1/s1
InChIKeyUHLUAFYKWUWUKT-FDMSEYEVSA-N
XLogP0.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one?
The IUPAC name of 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one (CID 91799576) is 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one?
The canonical SMILES for 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one is C[C@@H]1COCCN1C1NC(c2ncncc2F)CC(=O)N1C.
What is the InChIKey of 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one?
The InChIKey is UHLUAFYKWUWUKT-FDMSEYEVSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h6,8-9,11,14,18H,3-5,7H2,1-2H3/t9-,11?,14?/m1/s1.
What are the key properties of 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one?
6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one has a molecular weight of 309.35 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 91799576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).