2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine

C14H13ClN4O3 — CID 174523685

IUPAC2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1
InChIInChI=1S/C14H13ClN4O3/c15-14-17-11(9-2-1-3-10(6-9)19(20)21)7-12(18-14)13-8-16-4-5-22-13/h1-3,6-7,13,16H,4-5,8H2
InChIKeyMZRBMUXIPVIWHU-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine

2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine (PubChem CID 174523685) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
PubChem CID174523685
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1
InChIInChI=1S/C14H13ClN4O3/c15-14-17-11(9-2-1-3-10(6-9)19(20)21)7-12(18-14)13-8-16-4-5-22-13/h1-3,6-7,13,16H,4-5,8H2
InChIKeyMZRBMUXIPVIWHU-UHFFFAOYSA-N
XLogP2.37
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
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

2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine
CID 175283912
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
CID 174523651
6-methyl-2-(3-nitrophenyl)quinoline;morpholine
CID 174706704
2-chloro-4-(3-nitrophenyl)-1,3,5-triazine
CID 50998940
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 99964177
N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 174523676
[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
CID 174537284
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434034

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine (CID 174523685) is 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine is O=[N+]([O-])c1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1.
What is the InChIKey of 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine?
The InChIKey is MZRBMUXIPVIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c15-14-17-11(9-2-1-3-10(6-9)19(20)21)7-12(18-14)13-8-16-4-5-22-13/h1-3,6-7,13,16H,4-5,8H2.
What are the key properties of 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine?
2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine has a molecular weight of 320.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 174523685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).