2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

C16H29N5 — CID 80964097

IUPAC2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N5/c1-11-7-5-6-8-12(11)10-18-13-9-14(21-17)20-15(19-13)16(2,3)4/h9,11-12H,5-8,10,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyNLGXLOLHHNZIMB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 80964097) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID80964097
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N5/c1-11-7-5-6-8-12(11)10-18-13-9-14(21-17)20-15(19-13)16(2,3)4/h9,11-12H,5-8,10,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyNLGXLOLHHNZIMB-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

6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 113464266
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 80964097) is 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is CC1CCCCC1CNc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is NLGXLOLHHNZIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11-7-5-6-8-12(11)10-18-13-9-14(21-17)20-15(19-13)16(2,3)4/h9,11-12H,5-8,10,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-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-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80964097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).