6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

C10H14N6S2 — CID 80910991

IUPAC6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCc2cscn2)n1
InChIInChI=1S/C10H14N6S2/c1-17-10-14-8(4-9(15-10)16-11)12-3-2-7-5-18-6-13-7/h4-6H,2-3,11H2,1H3,(H2,12,14,15,16)
InChIKeyKKEPEEFZJRXXAC-UHFFFAOYSA-N
MW282.40 g/mol
LogP1.60
Rot. Bonds6

About 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 80910991) has the molecular formula C10H14N6S2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID80910991
Molecular FormulaC10H14N6S2
Molecular Weight282.40 g/mol
Exact Mass282.07
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCc2cscn2)n1
InChIInChI=1S/C10H14N6S2/c1-17-10-14-8(4-9(15-10)16-11)12-3-2-7-5-18-6-13-7/h4-6H,2-3,11H2,1H3,(H2,12,14,15,16)
InChIKeyKKEPEEFZJRXXAC-UHFFFAOYSA-N
XLogP1.60
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80919066
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
2-N-ethyl-6-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718549
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 80910991) is 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is CSc1nc(NN)cc(NCCc2cscn2)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KKEPEEFZJRXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S2/c1-17-10-14-8(4-9(15-10)16-11)12-3-2-7-5-18-6-13-7/h4-6H,2-3,11H2,1H3,(H2,12,14,15,16).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 282.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80910991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).