2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

C14H23N3O3 — CID 79376027

IUPAC2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C14H23N3O3/c1-10(2)16-5-6-20-12(8-16)9-17-13(18)7-11(3)15-14(17)19-4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyYADWKSSOUHEPHV-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.67
Rot. Bonds4

About 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 79376027) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID79376027
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C14H23N3O3/c1-10(2)16-5-6-20-12(8-16)9-17-13(18)7-11(3)15-14(17)19-4/h7,10,12H,5-6,8-9H2,1-4H3
InChIKeyYADWKSSOUHEPHV-UHFFFAOYSA-N
XLogP0.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 79376027) is 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CN(C(C)C)CCO1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is YADWKSSOUHEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)16-5-6-20-12(8-16)9-17-13(18)7-11(3)15-14(17)19-4/h7,10,12H,5-6,8-9H2,1-4H3.
What are the key properties of 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 281.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79376027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).