N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C11H19N5S — CID 80931790

IUPACN-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c1-17-11-14-9(7-10(15-11)16-12)13-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyRUSVWCODDSIDLB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.23
Rot. Bonds4

About N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80931790) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80931790
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC NameN-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCCCC2)n1
InChIInChI=1S/C11H19N5S/c1-17-11-14-9(7-10(15-11)16-12)13-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyRUSVWCODDSIDLB-UHFFFAOYSA-N
XLogP2.23
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.23
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-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 80918851
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80931790) is N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is RUSVWCODDSIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-17-11-14-9(7-10(15-11)16-12)13-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 253.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80931790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).