[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone

C26H27ClN6O2 — CID 129454817

IUPAC[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
SMILESCOCCn1cnc2cc(C(=O)N3CCCC[C@@H]3c3nc(N)ncc3-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H27ClN6O2/c1-35-13-12-32-16-30-21-14-18(7-10-22(21)32)25(34)33-11-3-2-4-23(33)24-20(15-29-26(28)31-24)17-5-8-19(27)9-6-17/h5-10,14-16,23H,2-4,11-13H2,1H3,(H2,28,29,31)/t23-/m1/s1
InChIKeyGEIQVGFMCSHDRU-HSZRJFAPSA-N
MW491.00 g/mol
LogP4.74
Rot. Bonds6

About [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone

[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone (PubChem CID 129454817) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
PubChem CID129454817
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
SMILESCOCCn1cnc2cc(C(=O)N3CCCC[C@@H]3c3nc(N)ncc3-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H27ClN6O2/c1-35-13-12-32-16-30-21-14-18(7-10-22(21)32)25(34)33-11-3-2-4-23(33)24-20(15-29-26(28)31-24)17-5-8-19(27)9-6-17/h5-10,14-16,23H,2-4,11-13H2,1H3,(H2,28,29,31)/t23-/m1/s1
InChIKeyGEIQVGFMCSHDRU-HSZRJFAPSA-N
XLogP4.74
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.00
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124952108
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-4-(azepan-1-yl)butan-1-one
CID 124941489
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837207
[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95815143
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95815151
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone?
The IUPAC name of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone (CID 129454817) is [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone is COCCn1cnc2cc(C(=O)N3CCCC[C@@H]3c3nc(N)ncc3-c3ccc(Cl)cc3)ccc21.
What is the InChIKey of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone?
The InChIKey is GEIQVGFMCSHDRU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-35-13-12-32-16-30-21-14-18(7-10-22(21)32)25(34)33-11-3-2-4-23(33)24-20(15-29-26(28)31-24)17-5-8-19(27)9-6-17/h5-10,14-16,23H,2-4,11-13H2,1H3,(H2,28,29,31)/t23-/m1/s1.
What are the key properties of [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone?
[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone has a molecular weight of 491.00 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 129454817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).