N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine

C12H18N8S — CID 80925367

IUPACN,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H18N8S/c1-4-20(5-2)10-16-9(19-13)17-12(18-10)21-11-14-7-6-8(3)15-11/h6-7H,4-5,13H2,1-3H3,(H,16,17,18,19)
InChIKeyUAQLHARCLYGWPU-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.25
Rot. Bonds6

About N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine

N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80925367) has the molecular formula C12H18N8S and a molecular weight of 306.40 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80925367
Molecular FormulaC12H18N8S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H18N8S/c1-4-20(5-2)10-16-9(19-13)17-12(18-10)21-11-14-7-6-8(3)15-11/h6-7H,4-5,13H2,1-3H3,(H,16,17,18,19)
InChIKeyUAQLHARCLYGWPU-UHFFFAOYSA-N
XLogP1.25
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80931247
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80930075
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883010
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80891820
N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 62268390
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine (CID 80925367) is N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(Sc2nccc(C)n2)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is UAQLHARCLYGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8S/c1-4-20(5-2)10-16-9(19-13)17-12(18-10)21-11-14-7-6-8(3)15-11/h6-7H,4-5,13H2,1-3H3,(H,16,17,18,19).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 306.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).