N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C13H23N5S — CID 80915423

IUPACN-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-8-4-5-10(6-9(8)2)15-11-7-12(18-14)17-13(16-11)19-3/h7-10H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyKHFQQTYYTKQYMW-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.72
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80915423) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80915423
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC NameN-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-8-4-5-10(6-9(8)2)15-11-7-12(18-14)17-13(16-11)19-3/h7-10H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyKHFQQTYYTKQYMW-UHFFFAOYSA-N
XLogP2.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.72
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-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine
CID 80915661
4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
CID 80941485
6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 107416021
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 64741980
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80915423) is N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KHFQQTYYTKQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-8-4-5-10(6-9(8)2)15-11-7-12(18-14)17-13(16-11)19-3/h7-10H,4-6,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80915423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).