6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine

C23H26N8 — CID 134147440

IUPAC6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine
SMILESCN(C)C1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1
InChIInChI=1S/C23H26N8/c1-29(2)17-9-11-30(12-10-17)18-7-8-21(24-14-18)28-22-13-23(26-15-25-22)31-16-27-19-5-3-4-6-20(19)31/h3-8,13-17H,9-12H2,1-2H3,(H,24,25,26,28)
InChIKeyKWBCXZRKOCGHBO-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.48
Rot. Bonds5

About 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine

6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 134147440) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine
PubChem CID134147440
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine
SMILESCN(C)C1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1
InChIInChI=1S/C23H26N8/c1-29(2)17-9-11-30(12-10-17)18-7-8-21(24-14-18)28-22-13-23(26-15-25-22)31-16-27-19-5-3-4-6-20(19)31/h3-8,13-17H,9-12H2,1-2H3,(H,24,25,26,28)
InChIKeyKWBCXZRKOCGHBO-UHFFFAOYSA-N
XLogP3.48
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine (CID 134147440) is 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine is CN(C)C1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is KWBCXZRKOCGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-29(2)17-9-11-30(12-10-17)18-7-8-21(24-14-18)28-22-13-23(26-15-25-22)31-16-27-19-5-3-4-6-20(19)31/h3-8,13-17H,9-12H2,1-2H3,(H,24,25,26,28).
What are the key properties of 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine?
6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 414.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134147440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).