2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine

C16H29N5 — CID 80969799

IUPAC2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(NN)nc(C(C)(C)C)n2)C1C
InChIInChI=1S/C16H29N5/c1-6-11-7-8-12(10(11)2)18-13-9-14(21-17)20-15(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H2,18,19,20,21)
InChIKeyKDMJUNJONAZBEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds4

About 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969799) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80969799
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(NN)nc(C(C)(C)C)n2)C1C
InChIInChI=1S/C16H29N5/c1-6-11-7-8-12(10(11)2)18-13-9-14(21-17)20-15(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H2,18,19,20,21)
InChIKeyKDMJUNJONAZBEZ-UHFFFAOYSA-N
XLogP3.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
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-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
CID 80840678
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
N-(3-ethyl-2-methylcyclopentyl)pyridazin-3-amine
CID 64921024
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
N-(2,3-dimethylcyclopentyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80915271
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
CID 64922502
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine (CID 80969799) is 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine is CCC1CCC(Nc2cc(NN)nc(C(C)(C)C)n2)C1C.
What is the InChIKey of 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is KDMJUNJONAZBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-11-7-8-12(10(11)2)18-13-9-14(21-17)20-15(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).