2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine

C16H18N6O3 — CID 3091858

IUPAC2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
SMILESCc1nc(NN=Cc2ccccc2[N+](=O)[O-])cc(N2CCOCC2)n1
InChIInChI=1S/C16H18N6O3/c1-12-18-15(10-16(19-12)21-6-8-25-9-7-21)20-17-11-13-4-2-3-5-14(13)22(23)24/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyDVQWQORBPZHEBV-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.98
Rot. Bonds5

About 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine

2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine (PubChem CID 3091858) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
PubChem CID3091858
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
SMILESCc1nc(NN=Cc2ccccc2[N+](=O)[O-])cc(N2CCOCC2)n1
InChIInChI=1S/C16H18N6O3/c1-12-18-15(10-16(19-12)21-6-8-25-9-7-21)20-17-11-13-4-2-3-5-14(13)22(23)24/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyDVQWQORBPZHEBV-UHFFFAOYSA-N
XLogP1.98
TPSA105.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 1420710
N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3338224
6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3107003
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
2-[(Z)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 135906066
N-[(Z)-(2-fluorophenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6165117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine (CID 3091858) is 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine is Cc1nc(NN=Cc2ccccc2[N+](=O)[O-])cc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine?
The InChIKey is DVQWQORBPZHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-12-18-15(10-16(19-12)21-6-8-25-9-7-21)20-17-11-13-4-2-3-5-14(13)22(23)24/h2-5,10-11H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine?
2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine has a molecular weight of 342.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 3091858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).