4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine

C15H15ClN4O4 — CID 23489641

IUPAC4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
SMILESCc1cc(Oc2ncnc(N3CCOCC3)c2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN4O4/c1-10-8-11(2-3-12(10)16)24-15-13(20(21)22)14(17-9-18-15)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyVZVNXKDLNKXDCU-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.98
Rot. Bonds4

About 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine

4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine (PubChem CID 23489641) has the molecular formula C15H15ClN4O4 and a molecular weight of 350.76 g/mol. Its IUPAC name is 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
PubChem CID23489641
Molecular FormulaC15H15ClN4O4
Molecular Weight350.76 g/mol
Exact Mass350.08
IUPAC Name4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
SMILESCc1cc(Oc2ncnc(N3CCOCC3)c2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN4O4/c1-10-8-11(2-3-12(10)16)24-15-13(20(21)22)14(17-9-18-15)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyVZVNXKDLNKXDCU-UHFFFAOYSA-N
XLogP2.98
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.98
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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Related Compounds

4-(4-chloro-3-methylphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489271
2-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531604
ethyl 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23494222
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
4-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158
ethyl 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23494221
6-(4-chloro-3-methylphenoxy)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22533003
4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371
6-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532089
N-(4-chloro-2-methylphenyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23485006

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine (CID 23489641) is 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine is Cc1cc(Oc2ncnc(N3CCOCC3)c2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine?
The InChIKey is VZVNXKDLNKXDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4/c1-10-8-11(2-3-12(10)16)24-15-13(20(21)22)14(17-9-18-15)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine?
4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine has a molecular weight of 350.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine is sourced from PubChem (CID 23489641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).