5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

C8H14FN5S — CID 141304014

IUPAC5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(SC)nc(NN)c1F
InChIInChI=1S/C8H14FN5S/c1-3-4-11-6-5(9)7(14-10)13-8(12-6)15-2/h3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGQRJNMZBBFKHAT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds5

About 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 141304014) has the molecular formula C8H14FN5S and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID141304014
Molecular FormulaC8H14FN5S
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(SC)nc(NN)c1F
InChIInChI=1S/C8H14FN5S/c1-3-4-11-6-5(9)7(14-10)13-8(12-6)15-2/h3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGQRJNMZBBFKHAT-UHFFFAOYSA-N
XLogP1.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
ethyl 2-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-oxoacetate
CID 16900908
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 7747033
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
ethyl 4-amino-6-(butylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 168916827
N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 142715263
5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
CID 114201160

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 141304014) is 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1nc(SC)nc(NN)c1F.
What is the InChIKey of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is GQRJNMZBBFKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5S/c1-3-4-11-6-5(9)7(14-10)13-8(12-6)15-2/h3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 141304014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).