4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine

C24H25N7 — CID 133365860

IUPAC4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ncnc1-n1cccn1
InChIInChI=1S/C24H25N7/c25-21-23(26-18-27-24(21)31-13-7-12-28-31)30-16-14-29(15-17-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17,25H2
InChIKeyMOAPOMHCDLUKMP-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.16
Rot. Bonds5

About 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine

4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine (PubChem CID 133365860) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
PubChem CID133365860
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ncnc1-n1cccn1
InChIInChI=1S/C24H25N7/c25-21-23(26-18-27-24(21)31-13-7-12-28-31)30-16-14-29(15-17-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17,25H2
InChIKeyMOAPOMHCDLUKMP-UHFFFAOYSA-N
XLogP3.16
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
6-(4-benzhydrylpiperazin-1-yl)-4-N,4-N-dibenzylpyrimidine-4,5-diamine
CID 19136335
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
6-(4-benzhydrylpiperazin-1-yl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19139714
6-(4-benzhydrylpiperazin-1-yl)-4-N-butylpyrimidine-4,5-diamine
CID 19134793
6-(4-benzhydrylpiperazin-1-yl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139592
6-(4-benzhydrylpiperazin-1-yl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19139582
6-(4-benzhydrylpiperazin-1-yl)-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19139653
6-(4-benzhydrylpiperazin-1-yl)-4-N-(1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19139612
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
6-(4-benzhydrylpiperazin-1-yl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539292
[4-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498946

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine (CID 133365860) is 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine is Nc1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ncnc1-n1cccn1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The InChIKey is MOAPOMHCDLUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c25-21-23(26-18-27-24(21)31-13-7-12-28-31)30-16-14-29(15-17-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17,25H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine has a molecular weight of 411.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine is sourced from PubChem (CID 133365860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).