2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide

C14H24IN3 — CID 169428794

IUPAC2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide
SMILESCc1nc(C)c(C)c(NC2CCC(C)CC2)n1.I
InChIInChI=1S/C14H23N3.HI/c1-9-5-7-13(8-6-9)17-14-10(2)11(3)15-12(4)16-14;/h9,13H,5-8H2,1-4H3,(H,15,16,17);1H
InChIKeyOVZOAQBAXCRBQC-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.01
Rot. Bonds2

About 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide

2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide (PubChem CID 169428794) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide.

Molecular Properties

Compound Name2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide
PubChem CID169428794
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide
SMILESCc1nc(C)c(C)c(NC2CCC(C)CC2)n1.I
InChIInChI=1S/C14H23N3.HI/c1-9-5-7-13(8-6-9)17-14-10(2)11(3)15-12(4)16-14;/h9,13H,5-8H2,1-4H3,(H,15,16,17);1H
InChIKeyOVZOAQBAXCRBQC-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
CID 135271021
N-(2-amino-5-iodo-6-methyl-4-pyrimidinyl)-N-hexylamine
CID 134093521
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
Pyrimidine, 4-(1,4-dimethylpentyl)amino-2,6-dimethyl-
CID 63925499
N,2,5,6-tetramethylpyrimidin-4-amine
CID 21338500
N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43395185

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide?
The IUPAC name of 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide (CID 169428794) is 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide.
What is the SMILES notation for 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide?
The canonical SMILES for 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide is Cc1nc(C)c(C)c(NC2CCC(C)CC2)n1.I.
What is the InChIKey of 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide?
The InChIKey is OVZOAQBAXCRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.HI/c1-9-5-7-13(8-6-9)17-14-10(2)11(3)15-12(4)16-14;/h9,13H,5-8H2,1-4H3,(H,15,16,17);1H.
What are the key properties of 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide?
2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine;hydroiodide is sourced from PubChem (CID 169428794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).