(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide

C15H26N4S — CID 130218791

IUPAC(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
SMILESCCNC(=S)N1CCN2C(CC)=N[C@@H](C)C(CC)=C2C1
InChIInChI=1S/C15H26N4S/c1-5-12-11(4)17-14(6-2)19-9-8-18(10-13(12)19)15(20)16-7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyUCPYFORBIDUFJD-NSHDSACASA-N
MW294.47 g/mol
LogP2.37
Rot. Bonds3

About (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide

(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide (PubChem CID 130218791) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide.

Molecular Properties

Compound Name(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
PubChem CID130218791
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
SMILESCCNC(=S)N1CCN2C(CC)=N[C@@H](C)C(CC)=C2C1
InChIInChI=1S/C15H26N4S/c1-5-12-11(4)17-14(6-2)19-9-8-18(10-13(12)19)15(20)16-7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyUCPYFORBIDUFJD-NSHDSACASA-N
XLogP2.37
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The IUPAC name of (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide (CID 130218791) is (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide.
What is the SMILES notation for (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The canonical SMILES for (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide is CCNC(=S)N1CCN2C(CC)=N[C@@H](C)C(CC)=C2C1.
What is the InChIKey of (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
The InChIKey is UCPYFORBIDUFJD-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-12-11(4)17-14(6-2)19-9-8-18(10-13(12)19)15(20)16-7-3/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide?
(8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide has a molecular weight of 294.47 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,6,9-triethyl-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide is sourced from PubChem (CID 130218791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).