4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine

C15H17N3O2 — CID 921200

IUPAC4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine
SMILESCc1cc(Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17N3O2/c1-12-11-14(20-13-5-3-2-4-6-13)17-15(16-12)18-7-9-19-10-8-18/h2-6,11H,7-10H2,1H3
InChIKeyFDUJQUQOQQNAJN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.41
Rot. Bonds3

About 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine

4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine (PubChem CID 921200) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine
PubChem CID921200
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine
SMILESCc1cc(Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H17N3O2/c1-12-11-14(20-13-5-3-2-4-6-13)17-15(16-12)18-7-9-19-10-8-18/h2-6,11H,7-10H2,1H3
InChIKeyFDUJQUQOQQNAJN-UHFFFAOYSA-N
XLogP2.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine (CID 921200) is 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine is Cc1cc(Oc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine?
The InChIKey is FDUJQUQOQQNAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-11-14(20-13-5-3-2-4-6-13)17-15(16-12)18-7-9-19-10-8-18/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine?
4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine has a molecular weight of 271.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-phenoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 921200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).