(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

C22H28N6O — CID 92612508

IUPAC(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(Cn2c(C)nc3ccccc32)cc(N[C@H](C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C22H28N6O/c1-15(22(29)27-11-7-4-8-12-27)23-21-13-18(24-16(2)25-21)14-28-17(3)26-19-9-5-6-10-20(19)28/h5-6,9-10,13,15H,4,7-8,11-12,14H2,1-3H3,(H,23,24,25)/t15-/m1/s1
InChIKeyDGDNBFJPBNMQHK-OAHLLOKOSA-N
MW392.51 g/mol
LogP3.30
Rot. Bonds5

About (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 92612508) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID92612508
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(Cn2c(C)nc3ccccc32)cc(N[C@H](C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C22H28N6O/c1-15(22(29)27-11-7-4-8-12-27)23-21-13-18(24-16(2)25-21)14-28-17(3)26-19-9-5-6-10-20(19)28/h5-6,9-10,13,15H,4,7-8,11-12,14H2,1-3H3,(H,23,24,25)/t15-/m1/s1
InChIKeyDGDNBFJPBNMQHK-OAHLLOKOSA-N
XLogP3.30
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methylpyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 46980189
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 46958476
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 25287592
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 71886350
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114046627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 92612508) is (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1nc(Cn2c(C)nc3ccccc32)cc(N[C@H](C)C(=O)N2CCCCC2)n1.
What is the InChIKey of (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DGDNBFJPBNMQHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(22(29)27-11-7-4-8-12-27)23-21-13-18(24-16(2)25-21)14-28-17(3)26-19-9-5-6-10-20(19)28/h5-6,9-10,13,15H,4,7-8,11-12,14H2,1-3H3,(H,23,24,25)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 392.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 92612508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).