4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide

C13H20N4S — CID 112755316

IUPAC4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
SMILESCCN(c1ncncc1C(N)=S)C1CCCCC1
InChIInChI=1S/C13H20N4S/c1-2-17(10-6-4-3-5-7-10)13-11(12(14)18)8-15-9-16-13/h8-10H,2-7H2,1H3,(H2,14,18)
InChIKeyHUXDJBIJVDIDKE-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.27
Rot. Bonds4

About 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide

4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide (PubChem CID 112755316) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
PubChem CID112755316
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
SMILESCCN(c1ncncc1C(N)=S)C1CCCCC1
InChIInChI=1S/C13H20N4S/c1-2-17(10-6-4-3-5-7-10)13-11(12(14)18)8-15-9-16-13/h8-10H,2-7H2,1H3,(H2,14,18)
InChIKeyHUXDJBIJVDIDKE-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.27
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

3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
CID 80511920
2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
CID 28601827
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
2-N-cyclohexyl-2-N-ethylpyrimidine-2,5-diamine
CID 61147065
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62300161
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924
4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide (CID 112755316) is 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide is CCN(c1ncncc1C(N)=S)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide?
The InChIKey is HUXDJBIJVDIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-17(10-6-4-3-5-7-10)13-11(12(14)18)8-15-9-16-13/h8-10H,2-7H2,1H3,(H2,14,18).
What are the key properties of 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide?
4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide is sourced from PubChem (CID 112755316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).