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

C8H14ClN5S — CID 80913327

IUPAC5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H14ClN5S/c1-15-4-2-3-11-7-6(9)5-12-8(13-7)14-10/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyAIFSDGKBNURQHU-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.58
Rot. Bonds6

About 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 80913327) has the molecular formula C8H14ClN5S and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID80913327
Molecular FormulaC8H14ClN5S
Molecular Weight247.75 g/mol
Exact Mass247.07
IUPAC Name5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H14ClN5S/c1-15-4-2-3-11-7-6(9)5-12-8(13-7)14-10/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyAIFSDGKBNURQHU-UHFFFAOYSA-N
XLogP1.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.58
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

5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (CID 80913327) is 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is CSCCCNc1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is AIFSDGKBNURQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5S/c1-15-4-2-3-11-7-6(9)5-12-8(13-7)14-10/h5H,2-4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 247.75 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80913327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).