N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide

C15H23N5S — CID 2206788

IUPACN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5S/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21)
InChIKeyYNWKNQYJQRHEAM-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.81
Rot. Bonds2

About N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide

N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (PubChem CID 2206788) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
PubChem CID2206788
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5S/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21)
InChIKeyYNWKNQYJQRHEAM-UHFFFAOYSA-N
XLogP1.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
N-cyclohexylpyrimidin-2-amine
CID 21252719
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N-(2-bicyclo[2.2.1]heptanyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 4968180
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
N-(propan-2-yl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CID 2375700
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CID 2206788) is N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is S=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The InChIKey is YNWKNQYJQRHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21).
What are the key properties of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide has a molecular weight of 305.45 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 2206788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).