2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine

C13H21N5S — CID 114122180

IUPAC2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCSC1CCCC1Nc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H21N5S/c1-19-10-4-2-3-9(10)15-11-7-12(18-14)17-13(16-11)8-5-6-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyGTTMSXSNOYIJFO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.34
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine (PubChem CID 114122180) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine
PubChem CID114122180
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCSC1CCCC1Nc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H21N5S/c1-19-10-4-2-3-9(10)15-11-7-12(18-14)17-13(16-11)8-5-6-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyGTTMSXSNOYIJFO-UHFFFAOYSA-N
XLogP2.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.34
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

N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
CID 104924476
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
CID 114122174
2-cyclopropyl-N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 114506697
6-chloro-N-(2-methylsulfanylcyclopentyl)pyrazin-2-amine
CID 103704052
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
CID 114123234
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855136
6-hydrazinyl-N-(2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775688
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
4-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103703993

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine (CID 114122180) is 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine is CSC1CCCC1Nc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The InChIKey is GTTMSXSNOYIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-19-10-4-2-3-9(10)15-11-7-12(18-14)17-13(16-11)8-5-6-8/h7-10H,2-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 114122180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).