5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine

C26H27ClN6O — CID 121272524

IUPAC5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc2c(C3CCC3)c(-c3nc(N4CCOCC4)nc(N)c3-c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C26H27ClN6O/c1-15-29-20-10-9-19(21(24(20)30-15)16-3-2-4-16)23-22(17-5-7-18(27)8-6-17)25(28)32-26(31-23)33-11-13-34-14-12-33/h5-10,16H,2-4,11-14H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyKSHHMWDBSXLTOF-UHFFFAOYSA-N
MW475.00 g/mol
LogP5.34
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine

5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272524) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272524
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC Name5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc2c(C3CCC3)c(-c3nc(N4CCOCC4)nc(N)c3-c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C26H27ClN6O/c1-15-29-20-10-9-19(21(24(20)30-15)16-3-2-4-16)23-22(17-5-7-18(27)8-6-17)25(28)32-26(31-23)33-11-13-34-14-12-33/h5-10,16H,2-4,11-14H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyKSHHMWDBSXLTOF-UHFFFAOYSA-N
XLogP5.34
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-6-[2-methyl-4-(oxetan-3-yl)-1H-benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272197
5-(3,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 22360304
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
5-(4-chlorophenyl)-4-N-(2,6-dimethylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 42643048
6-amino-5-(4-chlorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
CID 45028993
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-[5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin-2-yl]morpholine
CID 141496640
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
CID 103278417
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-(4-cyclobutyl-7-methylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 157044442
2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
CID 11508758

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine (CID 121272524) is 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine is Cc1nc2c(C3CCC3)c(-c3nc(N4CCOCC4)nc(N)c3-c3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KSHHMWDBSXLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O/c1-15-29-20-10-9-19(21(24(20)30-15)16-3-2-4-16)23-22(17-5-7-18(27)8-6-17)25(28)32-26(31-23)33-11-13-34-14-12-33/h5-10,16H,2-4,11-14H2,1H3,(H,29,30)(H2,28,31,32).
What are the key properties of 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine?
5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 475.00 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(4-cyclobutyl-2-methyl-1H-benzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).