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

C16H29N5 — CID 80963761

IUPAC2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCC(N(C)c2cc(NN)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H29N5/c1-11-6-8-12(9-7-11)21(5)14-10-13(20-17)18-15(19-14)16(2,3)4/h10-12H,6-9,17H2,1-5H3,(H,18,19,20)
InChIKeyVKNKFWXTROTLAR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.07
Rot. Bonds3

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

2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 80963761) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID80963761
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCC(N(C)c2cc(NN)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H29N5/c1-11-6-8-12(9-7-11)21(5)14-10-13(20-17)18-15(19-14)16(2,3)4/h10-12H,6-9,17H2,1-5H3,(H,18,19,20)
InChIKeyVKNKFWXTROTLAR-UHFFFAOYSA-N
XLogP3.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
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 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80940513
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80927990
N-cyclopentyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968637
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82751277
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 80963761) is 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is CC1CCC(N(C)c2cc(NN)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is VKNKFWXTROTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11-6-8-12(9-7-11)21(5)14-10-13(20-17)18-15(19-14)16(2,3)4/h10-12H,6-9,17H2,1-5H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 80963761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).