3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one

C15H17N3O2 — CID 155812528

IUPAC3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
SMILESCn1c(N2CCOCC2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C15H17N3O2/c1-17-14(19)11-13(12-5-3-2-4-6-12)16-15(17)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3
InChIKeyKVKISSOZHCASGD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.28
Rot. Bonds2

About 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one

3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one (PubChem CID 155812528) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
PubChem CID155812528
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
SMILESCn1c(N2CCOCC2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C15H17N3O2/c1-17-14(19)11-13(12-5-3-2-4-6-12)16-15(17)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3
InChIKeyKVKISSOZHCASGD-UHFFFAOYSA-N
XLogP1.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one (CID 155812528) is 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one is Cn1c(N2CCOCC2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one?
The InChIKey is KVKISSOZHCASGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-14(19)11-13(12-5-3-2-4-6-12)16-15(17)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one?
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 155812528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).