4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine

C15H15N5O3 — CID 127265068

IUPAC4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(C=Cc2cnc(N3CCOCC3)nc2)nc1
InChIInChI=1S/C15H15N5O3/c21-20(22)14-4-3-13(16-11-14)2-1-12-9-17-15(18-10-12)19-5-7-23-8-6-19/h1-4,9-11H,5-8H2
InChIKeyFMNAJYPHHMCSEV-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.79
Rot. Bonds4

About 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine

4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine (PubChem CID 127265068) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
PubChem CID127265068
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(C=Cc2cnc(N3CCOCC3)nc2)nc1
InChIInChI=1S/C15H15N5O3/c21-20(22)14-4-3-13(16-11-14)2-1-12-9-17-15(18-10-12)19-5-7-23-8-6-19/h1-4,9-11H,5-8H2
InChIKeyFMNAJYPHHMCSEV-UHFFFAOYSA-N
XLogP1.79
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.79
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-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
CID 137308663
(E)-1-(4-chloro-3-nitrophenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-en-1-one
CID 52683107
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
(E)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxobut-3-enoic acid
CID 126741494
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 129216917
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine (CID 127265068) is 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine is O=[N+]([O-])c1ccc(C=Cc2cnc(N3CCOCC3)nc2)nc1.
What is the InChIKey of 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine?
The InChIKey is FMNAJYPHHMCSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-20(22)14-4-3-13(16-11-14)2-1-12-9-17-15(18-10-12)19-5-7-23-8-6-19/h1-4,9-11H,5-8H2.
What are the key properties of 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine?
4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine has a molecular weight of 313.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 127265068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).