4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen

C22H26N6O2 — CID 144697815

IUPAC4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2c(C)ncnc2OC)ccc1N.[H][H]
InChIInChI=1S/C22H24N6O2.H2/c1-14-20(22(29-2)27-13-26-14)15-3-4-18(23)17(11-15)21(24)16-5-6-25-19(12-16)28-7-9-30-10-8-28;/h3-6,11-13,24H,7-10,23H2,1-2H3;1H/b24-21+;
InChIKeyLIPLSBXMVQUPGC-BBCFSJFZSA-N
MW406.49 g/mol
LogP2.94
Rot. Bonds5

About 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen

4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen (PubChem CID 144697815) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen.

Molecular Properties

Compound Name4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
PubChem CID144697815
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2c(C)ncnc2OC)ccc1N.[H][H]
InChIInChI=1S/C22H24N6O2.H2/c1-14-20(22(29-2)27-13-26-14)15-3-4-18(23)17(11-15)21(24)16-5-6-25-19(12-16)28-7-9-30-10-8-28;/h3-6,11-13,24H,7-10,23H2,1-2H3;1H/b24-21+;
InChIKeyLIPLSBXMVQUPGC-BBCFSJFZSA-N
XLogP2.94
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.94
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

4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
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
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
4-(2-fluoro-4-methoxy-3-pyridinyl)-2-[2-(4-methylsulfinylpiperazin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697842
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
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
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen?
The IUPAC name of 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen (CID 144697815) is 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen.
What is the SMILES notation for 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen?
The canonical SMILES for 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2c(C)ncnc2OC)ccc1N.[H][H].
What is the InChIKey of 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen?
The InChIKey is LIPLSBXMVQUPGC-BBCFSJFZSA-N. The full InChI is InChI=1S/C22H24N6O2.H2/c1-14-20(22(29-2)27-13-26-14)15-3-4-18(23)17(11-15)21(24)16-5-6-25-19(12-16)28-7-9-30-10-8-28;/h3-6,11-13,24H,7-10,23H2,1-2H3;1H/b24-21+;.
What are the key properties of 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen?
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen has a molecular weight of 406.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen is sourced from PubChem (CID 144697815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).