2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine

C10H19N5S — CID 10900932

IUPAC2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine
SMILESCCCCCCSc1[15n]c([15NH2])c([15NH2])c([15NH2])[15n]1
InChIInChI=1S/C10H19N5S/c1-2-3-4-5-6-16-10-14-8(12)7(11)9(13)15-10/h2-6,11H2,1H3,(H4,12,13,14,15)/i11+1,12+1,13+1,14+1,15+1
InChIKeyQGSZHIIADXTWIN-QWWPPVEWSA-N
MW246.33 g/mol
LogP1.90
Rot. Bonds6

About 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine

2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine (PubChem CID 10900932) has the molecular formula C10H19N5S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine.

Molecular Properties

Compound Name2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine
PubChem CID10900932
Molecular FormulaC10H19N5S
Molecular Weight246.33 g/mol
Exact Mass246.12
IUPAC Name2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine
SMILESCCCCCCSc1[15n]c([15NH2])c([15NH2])c([15NH2])[15n]1
InChIInChI=1S/C10H19N5S/c1-2-3-4-5-6-16-10-14-8(12)7(11)9(13)15-10/h2-6,11H2,1H3,(H4,12,13,14,15)/i11+1,12+1,13+1,14+1,15+1
InChIKeyQGSZHIIADXTWIN-QWWPPVEWSA-N
XLogP1.90
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
6-Chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
CID 141433924
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,5,6-triamine
CID 141513058
2-Ethylthio-4,6-diamino-5-nitrosopyrimidine
CID 12209953
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine?
The IUPAC name of 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine (CID 10900932) is 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine.
What is the SMILES notation for 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine?
The canonical SMILES for 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine is CCCCCCSc1[15n]c([15NH2])c([15NH2])c([15NH2])[15n]1.
What is the InChIKey of 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine?
The InChIKey is QGSZHIIADXTWIN-QWWPPVEWSA-N. The full InChI is InChI=1S/C10H19N5S/c1-2-3-4-5-6-16-10-14-8(12)7(11)9(13)15-10/h2-6,11H2,1H3,(H4,12,13,14,15)/i11+1,12+1,13+1,14+1,15+1.
What are the key properties of 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine?
2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine has a molecular weight of 246.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl(1,3-15N2)pyrimidine-4,5,6-tri(15N3)amine is sourced from PubChem (CID 10900932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).