4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine

C14H14N4O3 — CID 66493906

IUPAC4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H14N4O3/c19-18(20)12-3-1-2-11(10-12)13-4-5-15-14(16-13)17-6-8-21-9-7-17/h1-5,10H,6-9H2
InChIKeyHAVHWSMNGMSTMN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.89
Rot. Bonds3

About 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine

4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine (PubChem CID 66493906) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
PubChem CID66493906
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H14N4O3/c19-18(20)12-3-1-2-11(10-12)13-4-5-15-14(16-13)17-6-8-21-9-7-17/h1-5,10H,6-9H2
InChIKeyHAVHWSMNGMSTMN-UHFFFAOYSA-N
XLogP1.89
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.89
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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Related Compounds

4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
CID 66493923
4-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344661
4-[3-(2-chloropyrimidin-4-yl)-5-nitrophenyl]morpholine
CID 59587987
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
4,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
CID 6244076
[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360235
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
ethyl 7-morpholin-4-yl-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 155343157
2-morpholin-4-yl-6-(3-nitrophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 1267584
N-(4-fluorophenyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 11673977

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine (CID 66493906) is 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine is O=[N+]([O-])c1cccc(-c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine?
The InChIKey is HAVHWSMNGMSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-18(20)12-3-1-2-11(10-12)13-4-5-15-14(16-13)17-6-8-21-9-7-17/h1-5,10H,6-9H2.
What are the key properties of 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine?
4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine has a molecular weight of 286.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 66493906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).