N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide

C13H22N4S — CID 126756557

IUPACN-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
SMILESCCNC(=S)N1CCN2C(C)=NC(C)C(C)=C2C1
InChIInChI=1S/C13H22N4S/c1-5-14-13(18)16-6-7-17-11(4)15-10(3)9(2)12(17)8-16/h10H,5-8H2,1-4H3,(H,14,18)
InChIKeyVHEWEHDBLPRPKD-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.59
Rot. Bonds1

About N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide

N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide (PubChem CID 126756557) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide.

Molecular Properties

Compound NameN-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
PubChem CID126756557
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
SMILESCCNC(=S)N1CCN2C(C)=NC(C)C(C)=C2C1
InChIInChI=1S/C13H22N4S/c1-5-14-13(18)16-6-7-17-11(4)15-10(3)9(2)12(17)8-16/h10H,5-8H2,1-4H3,(H,14,18)
InChIKeyVHEWEHDBLPRPKD-UHFFFAOYSA-N
XLogP1.59
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbothioamide
CID 116508456
N-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbothioamide
CID 115620833
N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2886350
N-ethylpiperazine-1-carbothioamide
CID 13077529
4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
CID 115583418
N-ethyl-3,5-dioxopiperazine-1-carbothioamide
CID 116509206
N-ethyl-4-methylsulfonylpiperazine-1-carbothioamide
CID 19687943
N,5-diethyl-3,4-dihydropyrazole-2-carbothioamide
CID 86677608
N-ethyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 130914691
N-ethyl-4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide
CID 108781518
N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 841458
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carbothioamide
CID 75416071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The IUPAC name of N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide (CID 126756557) is N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide.
What is the SMILES notation for N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The canonical SMILES for N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide is CCNC(=S)N1CCN2C(C)=NC(C)C(C)=C2C1.
What is the InChIKey of N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The InChIKey is VHEWEHDBLPRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-14-13(18)16-6-7-17-11(4)15-10(3)9(2)12(17)8-16/h10H,5-8H2,1-4H3,(H,14,18).
What are the key properties of N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide is sourced from PubChem (CID 126756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).