4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine

C15H16N4O4 — CID 3705143

IUPAC4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc(Oc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O4/c1-11-13(19(20)21)14(23-12-5-3-2-4-6-12)17-15(16-11)18-7-9-22-10-8-18/h2-6H,7-10H2,1H3
InChIKeyDPSGYOQPECWOKA-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.32
Rot. Bonds4

About 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine

4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine (PubChem CID 3705143) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine
PubChem CID3705143
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc(Oc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N4O4/c1-11-13(19(20)21)14(23-12-5-3-2-4-6-12)17-15(16-11)18-7-9-22-10-8-18/h2-6H,7-10H2,1H3
InChIKeyDPSGYOQPECWOKA-UHFFFAOYSA-N
XLogP2.32
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine (CID 3705143) is 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine is Cc1nc(N2CCOCC2)nc(Oc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine?
The InChIKey is DPSGYOQPECWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-11-13(19(20)21)14(23-12-5-3-2-4-6-12)17-15(16-11)18-7-9-22-10-8-18/h2-6H,7-10H2,1H3.
What are the key properties of 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine?
4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine has a molecular weight of 316.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-nitro-6-phenoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 3705143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).