3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C19H23N7O — CID 126888383

IUPAC3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)ncn1
InChIInChI=1S/C19H23N7O/c1-25(2)18-10-17(22-12-23-18)24-14-5-7-26(8-6-14)19(27)13-3-4-15-16(9-13)21-11-20-15/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyRUFIPVWAARLPFF-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.14
Rot. Bonds4

About 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126888383) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126888383
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)ncn1
InChIInChI=1S/C19H23N7O/c1-25(2)18-10-17(22-12-23-18)24-14-5-7-26(8-6-14)19(27)13-3-4-15-16(9-13)21-11-20-15/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyRUFIPVWAARLPFF-UHFFFAOYSA-N
XLogP2.14
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 171334208
1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888348
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126888383) is 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is CN(C)c1cc(NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)ncn1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is RUFIPVWAARLPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25(2)18-10-17(22-12-23-18)24-14-5-7-26(8-6-14)19(27)13-3-4-15-16(9-13)21-11-20-15/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126888383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).