5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine

C19H22FN7O3 — CID 118070379

IUPAC5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
SMILESO=Nc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C19H22FN7O3/c20-15-13-21-19(23-18(15)27-5-9-30-10-6-27)24-22-12-14-1-2-17(16(11-14)25-28)26-3-7-29-8-4-26/h1-2,11-13H,3-10H2,(H,21,23,24)/b22-12-
InChIKeyGXMXBJREECYURJ-UUYOSTAYSA-N
MW415.43 g/mol
LogP2.13
Rot. Bonds6

About 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine (PubChem CID 118070379) has the molecular formula C19H22FN7O3 and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
PubChem CID118070379
Molecular FormulaC19H22FN7O3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC Name5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
SMILESO=Nc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C19H22FN7O3/c20-15-13-21-19(23-18(15)27-5-9-30-10-6-27)24-22-12-14-1-2-17(16(11-14)25-28)26-3-7-29-8-4-26/h1-2,11-13H,3-10H2,(H,21,23,24)/b22-12-
InChIKeyGXMXBJREECYURJ-UUYOSTAYSA-N
XLogP2.13
TPSA104.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 129106591
2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126221378
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
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
N-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 4136118
5-fluoro-N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 17354247
2,4-dichloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135846631
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 126001855
4-bromo-2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 5188555
2-amino-4-bromo-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136633987

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine (CID 118070379) is 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine is O=Nc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is GXMXBJREECYURJ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H22FN7O3/c20-15-13-21-19(23-18(15)27-5-9-30-10-6-27)24-22-12-14-1-2-17(16(11-14)25-28)26-3-7-29-8-4-26/h1-2,11-13H,3-10H2,(H,21,23,24)/b22-12-.
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 415.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 118070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).