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

C19H30N8 — CID 648855

IUPAC2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H30N8/c1-15(2)17(18-22-23-24-27(18)16-7-4-3-5-8-16)25-11-13-26(14-12-25)19-20-9-6-10-21-19/h6,9-10,15-17H,3-5,7-8,11-14H2,1-2H3
InChIKeyLKADYRPUTILHME-UHFFFAOYSA-N
MW370.51 g/mol
LogP2.49
Rot. Bonds5

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

2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine (PubChem CID 648855) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine
PubChem CID648855
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H30N8/c1-15(2)17(18-22-23-24-27(18)16-7-4-3-5-8-16)25-11-13-26(14-12-25)19-20-9-6-10-21-19/h6,9-10,15-17H,3-5,7-8,11-14H2,1-2H3
InChIKeyLKADYRPUTILHME-UHFFFAOYSA-N
XLogP2.49
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine (CID 648855) is 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine is CC(C)C(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine?
The InChIKey is LKADYRPUTILHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-15(2)17(18-22-23-24-27(18)16-7-4-3-5-8-16)25-11-13-26(14-12-25)19-20-9-6-10-21-19/h6,9-10,15-17H,3-5,7-8,11-14H2,1-2H3.
What are the key properties of 2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine?
2-[4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]pyrimidine has a molecular weight of 370.51 g/mol, XLogP of 2.49, 5 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)-2-methylpropyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 648855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).