N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine

C25H25ClN6O2 — CID 121272197

IUPACN-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc2c(C3COC3)c(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc2[nH]1
InChIInChI=1S/C25H25ClN6O2/c1-15-27-20-7-6-19(23(24(20)28-15)16-13-34-14-16)21-12-22(29-18-4-2-17(26)3-5-18)31-25(30-21)32-8-10-33-11-9-32/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyGYZNTPAUTFXZKX-UHFFFAOYSA-N
MW476.97 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272197) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272197
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC NameN-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc2c(C3COC3)c(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc2[nH]1
InChIInChI=1S/C25H25ClN6O2/c1-15-27-20-7-6-19(23(24(20)28-15)16-13-34-14-16)21-12-22(29-18-4-2-17(26)3-5-18)31-25(30-21)32-8-10-33-11-9-32/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyGYZNTPAUTFXZKX-UHFFFAOYSA-N
XLogP4.68
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272524
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
6-(3-amino-4-methanimidoylphenyl)-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 145062178
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912329
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272239
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789810
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272197) is N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nc2c(C3COC3)c(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc2[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GYZNTPAUTFXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-15-27-20-7-6-19(23(24(20)28-15)16-13-34-14-16)21-12-22(29-18-4-2-17(26)3-5-18)31-25(30-21)32-8-10-33-11-9-32/h2-7,12,16H,8-11,13-14H2,1H3,(H,27,28)(H,29,30,31).
What are the key properties of N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 476.97 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).