6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine

C12H21N5S — CID 107416021

IUPAC6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2CCC(C)C2)n1
InChIInChI=1S/C12H21N5S/c1-8-3-4-9(5-8)7-14-10-6-11(17-13)16-12(15-10)18-2/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyJMBXJCYHXCEOMG-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.33
Rot. Bonds5

About 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 107416021) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID107416021
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2CCC(C)C2)n1
InChIInChI=1S/C12H21N5S/c1-8-3-4-9(5-8)7-14-10-6-11(17-13)16-12(15-10)18-2/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyJMBXJCYHXCEOMG-UHFFFAOYSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.33
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'}

Analyze 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138701
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
6-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrazin-2-amine
CID 80914019
6-N-[(3-methylcyclopentyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107415860
3-N-[(3-methylcyclopentyl)methyl]pyridazine-3,6-diamine
CID 107415795
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine (CID 107416021) is 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NCC2CCC(C)C2)n1.
What is the InChIKey of 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is JMBXJCYHXCEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8-3-4-9(5-8)7-14-10-6-11(17-13)16-12(15-10)18-2/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 107416021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).