2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine

C20H32N8 — CID 654502

IUPAC2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine
SMILESCC(C)CC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H32N8/c1-16(2)15-18(19-23-24-25-28(19)17-7-4-3-5-8-17)26-11-13-27(14-12-26)20-21-9-6-10-22-20/h6,9-10,16-18H,3-5,7-8,11-15H2,1-2H3
InChIKeyVHBGOIPNHRPESU-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.88
Rot. Bonds6

About 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine

2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine (PubChem CID 654502) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine
PubChem CID654502
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine
SMILESCC(C)CC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H32N8/c1-16(2)15-18(19-23-24-25-28(19)17-7-4-3-5-8-17)26-11-13-27(14-12-26)20-21-9-6-10-22-20/h6,9-10,16-18H,3-5,7-8,11-15H2,1-2H3
InChIKeyVHBGOIPNHRPESU-UHFFFAOYSA-N
XLogP2.88
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine (CID 654502) is 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine is CC(C)CC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine?
The InChIKey is VHBGOIPNHRPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c1-16(2)15-18(19-23-24-25-28(19)17-7-4-3-5-8-17)26-11-13-27(14-12-26)20-21-9-6-10-22-20/h6,9-10,16-18H,3-5,7-8,11-15H2,1-2H3.
What are the key properties of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine?
2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine has a molecular weight of 384.53 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 654502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).