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

C15H16N4O3 — CID 867853

IUPAC4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C15H16N4O3/c1-11-10-14(18-6-8-22-9-7-18)17-15(16-11)12-2-4-13(5-3-12)19(20)21/h2-5,10H,6-9H2,1H3
InChIKeyKXCFXEMMEBLIAY-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.20
Rot. Bonds3

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

4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine (PubChem CID 867853) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine
PubChem CID867853
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C15H16N4O3/c1-11-10-14(18-6-8-22-9-7-18)17-15(16-11)12-2-4-13(5-3-12)19(20)21/h2-5,10H,6-9H2,1H3
InChIKeyKXCFXEMMEBLIAY-UHFFFAOYSA-N
XLogP2.20
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine (CID 867853) is 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine?
The InChIKey is KXCFXEMMEBLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-11-10-14(18-6-8-22-9-7-18)17-15(16-11)12-2-4-13(5-3-12)19(20)21/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine?
4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine has a molecular weight of 300.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 867853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).