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

C21H22N8 — CID 134140050

IUPAC6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1
InChIInChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)16-6-7-19(22-13-16)26-20-12-21(24-14-23-20)29-15-25-17-4-2-3-5-18(17)29/h2-7,12-15H,8-11H2,1H3,(H,22,23,24,26)
InChIKeyAWYBHCVXZFMJHV-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.71
Rot. Bonds4

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

6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 134140050) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID134140050
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1
InChIInChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)16-6-7-19(22-13-16)26-20-12-21(24-14-23-20)29-15-25-17-4-2-3-5-18(17)29/h2-7,12-15H,8-11H2,1H3,(H,22,23,24,26)
InChIKeyAWYBHCVXZFMJHV-UHFFFAOYSA-N
XLogP2.71
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.71
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-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (CID 134140050) is 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is CN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is AWYBHCVXZFMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)16-6-7-19(22-13-16)26-20-12-21(24-14-23-20)29-15-25-17-4-2-3-5-18(17)29/h2-7,12-15H,8-11H2,1H3,(H,22,23,24,26).
What are the key properties of 6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?
6-(benzimidazol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 2.71, 4 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-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134140050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).