N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine

C12H21N5 — CID 80915661

IUPACN-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC1CCC(Nc2ccnc(NN)n2)CC1C
InChIInChI=1S/C12H21N5/c1-8-3-4-10(7-9(8)2)15-11-5-6-14-12(16-11)17-13/h5-6,8-10H,3-4,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZZYNCPDAVSLWOL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine

N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80915661) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80915661
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine
SMILESCC1CCC(Nc2ccnc(NN)n2)CC1C
InChIInChI=1S/C12H21N5/c1-8-3-4-10(7-9(8)2)15-11-5-6-14-12(16-11)17-13/h5-6,8-10H,3-4,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyZZYNCPDAVSLWOL-UHFFFAOYSA-N
XLogP2.00
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
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

4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932479
2-N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80915102
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 64741980
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64741880
N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80943155
4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
CID 80941485

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine (CID 80915661) is N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine is CC1CCC(Nc2ccnc(NN)n2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is ZZYNCPDAVSLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-3-4-10(7-9(8)2)15-11-5-6-14-12(16-11)17-13/h5-6,8-10H,3-4,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine?
N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80915661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).