5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine

C16H27N5 — CID 80909037

IUPAC5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H27N5/c1-5-11-12(18-9-19-13(11)21-17)20-14-15(2,3)10-6-7-16(14,4)8-10/h9-10,14H,5-8,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyYQBHNRPPBDEGND-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.95
Rot. Bonds4

About 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine (PubChem CID 80909037) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
PubChem CID80909037
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H27N5/c1-5-11-12(18-9-19-13(11)21-17)20-14-15(2,3)10-6-7-16(14,4)8-10/h9-10,14H,5-8,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyYQBHNRPPBDEGND-UHFFFAOYSA-N
XLogP2.95
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.95
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'}

Analyze 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
5-bromo-6-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine
CID 114071750
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929757
N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258
5-ethyl-6-hydrazinyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 80915172
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
6-hydrazinyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80917975
2-N-ethyl-5-fluoro-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80823338
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 115320849

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine (CID 80909037) is 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine is CCc1c(NN)ncnc1NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
The InChIKey is YQBHNRPPBDEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-11-12(18-9-19-13(11)21-17)20-14-15(2,3)10-6-7-16(14,4)8-10/h9-10,14H,5-8,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidin-4-amine is sourced from PubChem (CID 80909037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).