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

C13H23N5 — CID 80944500

IUPACN-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCC(C)C2C)nc(NN)n1
InChIInChI=1S/C13H23N5/c1-8-5-4-6-11(10(8)3)16-12-7-9(2)15-13(17-12)18-14/h7-8,10-11H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyVQJMLPTWZPAAKY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.31
Rot. Bonds3

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

N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 80944500) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID80944500
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCC(C)C2C)nc(NN)n1
InChIInChI=1S/C13H23N5/c1-8-5-4-6-11(10(8)3)16-12-7-9(2)15-13(17-12)18-14/h7-8,10-11H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyVQJMLPTWZPAAKY-UHFFFAOYSA-N
XLogP2.31
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80944363
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 80904548
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
N-(2,3-dimethylcyclopentyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80915271
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
N-(dicyclopropylmethyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80897563
N-(2,3-dimethylcyclopentyl)-6-hydrazinylpyrazin-2-amine
CID 80915676
6-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395279
6-chloro-N-(2,3-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545598

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 80944500) is N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCC(C)C2C)nc(NN)n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is VQJMLPTWZPAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-8-5-4-6-11(10(8)3)16-12-7-9(2)15-13(17-12)18-14/h7-8,10-11H,4-6,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80944500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).