4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine

C21H21N7 — CID 19138691

IUPAC4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccc3)CC2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C21H21N7/c22-19-20(27-12-10-26(11-13-27)16-6-2-1-3-7-16)23-14-24-21(19)28-15-25-17-8-4-5-9-18(17)28/h1-9,14-15H,10-13,22H2
InChIKeyIRAQWJRIXKLQLQ-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.72
Rot. Bonds3

About 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine

4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19138691) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19138691
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccc3)CC2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C21H21N7/c22-19-20(27-12-10-26(11-13-27)16-6-2-1-3-7-16)23-14-24-21(19)28-15-25-17-8-4-5-9-18(17)28/h1-9,14-15H,10-13,22H2
InChIKeyIRAQWJRIXKLQLQ-UHFFFAOYSA-N
XLogP2.72
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
CID 19139393
4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138513
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(benzotriazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139045
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19149882

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine (CID 19138691) is 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine is Nc1c(N2CCN(c3ccccc3)CC2)ncnc1-n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is IRAQWJRIXKLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c22-19-20(27-12-10-26(11-13-27)16-6-2-1-3-7-16)23-14-24-21(19)28-15-25-17-8-4-5-9-18(17)28/h1-9,14-15H,10-13,22H2.
What are the key properties of 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 371.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19138691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).