4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine

C15H16N4O4 — CID 3386009

IUPAC4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O4/c1-11-10-14(17-15(16-11)18-6-8-22-9-7-18)23-13-4-2-12(3-5-13)19(20)21/h2-5,10H,6-9H2,1H3
InChIKeyWIRZZFYNWOJOGW-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.32
Rot. Bonds4

About 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine (PubChem CID 3386009) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
PubChem CID3386009
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O4/c1-11-10-14(17-15(16-11)18-6-8-22-9-7-18)23-13-4-2-12(3-5-13)19(20)21/h2-5,10H,6-9H2,1H3
InChIKeyWIRZZFYNWOJOGW-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-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine (CID 3386009) is 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine is Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine?
The InChIKey is WIRZZFYNWOJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-11-10-14(17-15(16-11)18-6-8-22-9-7-18)23-13-4-2-12(3-5-13)19(20)21/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-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-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3386009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).