(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine

C15H15N5O3S — CID 6904910

IUPAC(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/N2CCOCC2)ccc1Sc1ncccn1
InChIInChI=1S/C15H15N5O3S/c21-20(22)13-10-12(11-18-19-6-8-23-9-7-19)2-3-14(13)24-15-16-4-1-5-17-15/h1-5,10-11H,6-9H2/b18-11+
InChIKeyAWVCPLHNCIFHFO-WOJGMQOQSA-N
MW345.38 g/mol
LogP2.20
Rot. Bonds5

About (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine

(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine (PubChem CID 6904910) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
PubChem CID6904910
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/N2CCOCC2)ccc1Sc1ncccn1
InChIInChI=1S/C15H15N5O3S/c21-20(22)13-10-12(11-18-19-6-8-23-9-7-19)2-3-14(13)24-15-16-4-1-5-17-15/h1-5,10-11H,6-9H2/b18-11+
InChIKeyAWVCPLHNCIFHFO-WOJGMQOQSA-N
XLogP2.20
TPSA93.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 6138412
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 73362660
(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2415440
N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6892795
3,5-dimethoxy-N-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide
CID 4646980
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methylideneamino]aniline
CID 124530195
2-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126116042
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
CID 135964584
(Z)-1-(2-bromophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one
CID 92934639
N-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 4217862
5-fluoro-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 44537686
(E)-1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 21381290

Frequently Asked Questions

What is the IUPAC name of (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine?
The IUPAC name of (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine (CID 6904910) is (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine.
What is the SMILES notation for (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine?
The canonical SMILES for (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine is O=[N+]([O-])c1cc(/C=N/N2CCOCC2)ccc1Sc1ncccn1.
What is the InChIKey of (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine?
The InChIKey is AWVCPLHNCIFHFO-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-20(22)13-10-12(11-18-19-6-8-23-9-7-19)2-3-14(13)24-15-16-4-1-5-17-15/h1-5,10-11H,6-9H2/b18-11+.
What are the key properties of (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine?
(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine has a molecular weight of 345.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine is sourced from PubChem (CID 6904910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).