[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

C25H34N6O — CID 91947319

IUPAC[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C(C)C)nc(N(C)C)n3)C2)nc2ccccc21
InChIInChI=1S/C25H34N6O/c1-6-13-31-22-12-8-7-11-19(22)26-23(31)18-10-9-14-30(16-18)24(32)21-15-20(17(2)3)27-25(28-21)29(4)5/h7-8,11-12,15,17-18H,6,9-10,13-14,16H2,1-5H3
InChIKeyBCGKCUZIHOXFRV-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.45
Rot. Bonds6

About [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947319) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947319
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C(C)C)nc(N(C)C)n3)C2)nc2ccccc21
InChIInChI=1S/C25H34N6O/c1-6-13-31-22-12-8-7-11-19(22)26-23(31)18-10-9-14-30(16-18)24(32)21-15-20(17(2)3)27-25(28-21)29(4)5/h7-8,11-12,15,17-18H,6,9-10,13-14,16H2,1-5H3
InChIKeyBCGKCUZIHOXFRV-UHFFFAOYSA-N
XLogP4.45
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947291
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
(6-methyl-1,2,4-benzotriazin-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947275
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947259
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947244
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947243
2-methyl-2-[3-(1-propylbenzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 91947280

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947319) is [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCCn1c(C2CCCN(C(=O)c3cc(C(C)C)nc(N(C)C)n3)C2)nc2ccccc21.
What is the InChIKey of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BCGKCUZIHOXFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-6-13-31-22-12-8-7-11-19(22)26-23(31)18-10-9-14-30(16-18)24(32)21-15-20(17(2)3)27-25(28-21)29(4)5/h7-8,11-12,15,17-18H,6,9-10,13-14,16H2,1-5H3.
What are the key properties of [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 434.59 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).