N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C13H23N5 — CID 80929757

IUPACN-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC1CCCC1(C)C
InChIInChI=1S/C13H23N5/c1-4-9-11(15-8-16-12(9)18-14)17-10-6-5-7-13(10,2)3/h8,10H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyILDRMYBKHVTQMR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.32
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80929757) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80929757
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC1CCCC1(C)C
InChIInChI=1S/C13H23N5/c1-4-9-11(15-8-16-12(9)18-14)17-10-6-5-7-13(10,2)3/h8,10H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyILDRMYBKHVTQMR-UHFFFAOYSA-N
XLogP2.32
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.32
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

N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
4-N-(2,2-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850168
5-ethyl-6-hydrazinyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 80915172
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
CID 80909037
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
N-(2,2-dimethylcyclopentyl)quinazolin-4-amine
CID 79838682
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80929757) is N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is ILDRMYBKHVTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-9-11(15-8-16-12(9)18-14)17-10-6-5-7-13(10,2)3/h8,10H,4-7,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80929757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).