2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

C12H21N5 — CID 80896254

IUPAC2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCC(N(C)c2ccnc(NN)n2)CC1
InChIInChI=1S/C12H21N5/c1-9-3-5-10(6-4-9)17(2)11-7-8-14-12(15-11)16-13/h7-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyYHRCMIXCYYLDJA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds3

About 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 80896254) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID80896254
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCC(N(C)c2ccnc(NN)n2)CC1
InChIInChI=1S/C12H21N5/c1-9-3-5-10(6-4-9)17(2)11-7-8-14-12(15-11)16-13/h7-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyYHRCMIXCYYLDJA-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 80896254) is 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is CC1CCC(N(C)c2ccnc(NN)n2)CC1.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is YHRCMIXCYYLDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-3-5-10(6-4-9)17(2)11-7-8-14-12(15-11)16-13/h7-10H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 80896254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).