2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine

C8H15N5S — CID 80912235

IUPAC2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1ccnc(NN)n1
InChIInChI=1S/C8H15N5S/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13)
InChIKeyWCLUYAUNDPGAIW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.93
Rot. Bonds6

About 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine

2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 80912235) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID80912235
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1ccnc(NN)n1
InChIInChI=1S/C8H15N5S/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13)
InChIKeyWCLUYAUNDPGAIW-UHFFFAOYSA-N
XLogP0.93
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899162
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 78995491
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (CID 80912235) is 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is CSCCCNc1ccnc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is WCLUYAUNDPGAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 213.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80912235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).