4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline

C21H22N6O2 — CID 123710007

IUPAC4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncc(OC)cn2)ccc1N
InChIInChI=1S/C21H22N6O2/c1-28-16-12-25-21(26-13-16)15-2-3-18(22)17(10-15)20(23)14-4-5-24-19(11-14)27-6-8-29-9-7-27/h2-5,10-13,23H,6-9,22H2,1H3/b23-20+
InChIKeyRKXGWCOONGMSGD-BSYVCWPDSA-N
MW390.45 g/mol
LogP2.38
Rot. Bonds5

About 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline

4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline (PubChem CID 123710007) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
PubChem CID123710007
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncc(OC)cn2)ccc1N
InChIInChI=1S/C21H22N6O2/c1-28-16-12-25-21(26-13-16)15-2-3-18(22)17(10-15)20(23)14-4-5-24-19(11-14)27-6-8-29-9-7-27/h2-5,10-13,23H,6-9,22H2,1H3/b23-20+
InChIKeyRKXGWCOONGMSGD-BSYVCWPDSA-N
XLogP2.38
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
CID 144697815
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
4-(2-fluoro-4-methoxy-3-pyridinyl)-2-[2-(4-methylsulfinylpiperazin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697842
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline?
The IUPAC name of 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline (CID 123710007) is 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline?
The canonical SMILES for 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncc(OC)cn2)ccc1N.
What is the InChIKey of 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline?
The InChIKey is RKXGWCOONGMSGD-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-28-16-12-25-21(26-13-16)15-2-3-18(22)17(10-15)20(23)14-4-5-24-19(11-14)27-6-8-29-9-7-27/h2-5,10-13,23H,6-9,22H2,1H3/b23-20+.
What are the key properties of 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline?
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline has a molecular weight of 390.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 123710007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).