2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline

C22H25N7O2 — CID 144694480

IUPAC2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline
SMILES[H]/N=C(\c1cc(N2CC(C)O[C@H](C)C2)ncn1)c1cc(-c2cnc(OC)cn2)ccc1N
InChIInChI=1S/C22H25N7O2/c1-13-10-29(11-14(2)31-13)20-7-18(27-12-28-20)22(24)16-6-15(4-5-17(16)23)19-8-26-21(30-3)9-25-19/h4-9,12-14,24H,10-11,23H2,1-3H3/b24-22-/t13-,14?/m1/s1
InChIKeyNDGGTBSAUCUJGK-LCGPJNHBSA-N
MW419.49 g/mol
LogP2.55
Rot. Bonds5

About 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline

2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline (PubChem CID 144694480) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline.

Molecular Properties

Compound Name2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline
PubChem CID144694480
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline
SMILES[H]/N=C(\c1cc(N2CC(C)O[C@H](C)C2)ncn1)c1cc(-c2cnc(OC)cn2)ccc1N
InChIInChI=1S/C22H25N7O2/c1-13-10-29(11-14(2)31-13)20-7-18(27-12-28-20)22(24)16-6-15(4-5-17(16)23)19-8-26-21(30-3)9-25-19/h4-9,12-14,24H,10-11,23H2,1-3H3/b24-22-/t13-,14?/m1/s1
InChIKeyNDGGTBSAUCUJGK-LCGPJNHBSA-N
XLogP2.55
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-ethylcyclopropyl)oxyaniline;molecular hydrogen
CID 144694886
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(3-ethyloxetan-3-yl)oxyaniline
CID 130414441
2-[6-[(6R)-2-ethynyl-6-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 144697268
2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
2-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-methoxyaniline
CID 144694870
N'-[1-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]azetidin-3-yl]methanimidamide
CID 123781352
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
2-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414414
4-amino-3-[6-(4-methylpiperazin-1-yl)pyrimidine-4-carboximidoyl]phenol
CID 137229950
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
(3R)-1-[6-[2-amino-5-(2-methoxyethoxy)benzenecarboximidoyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 144697096

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline?
The IUPAC name of 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline (CID 144694480) is 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline.
What is the SMILES notation for 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline?
The canonical SMILES for 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline is [H]/N=C(\c1cc(N2CC(C)O[C@H](C)C2)ncn1)c1cc(-c2cnc(OC)cn2)ccc1N.
What is the InChIKey of 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline?
The InChIKey is NDGGTBSAUCUJGK-LCGPJNHBSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13-10-29(11-14(2)31-13)20-7-18(27-12-28-20)22(24)16-6-15(4-5-17(16)23)19-8-26-21(30-3)9-25-19/h4-9,12-14,24H,10-11,23H2,1-3H3/b24-22-/t13-,14?/m1/s1.
What are the key properties of 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline?
2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline has a molecular weight of 419.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(5-methoxypyrazin-2-yl)aniline is sourced from PubChem (CID 144694480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).