6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine

C16H26IN3 — CID 66307233

IUPAC6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCC1(C)CCC(c2nc(N)c(I)c(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H26IN3/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyXCPQFRWAWCWMQW-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.64
Rot. Bonds1

About 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine

6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine (PubChem CID 66307233) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
PubChem CID66307233
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCC1(C)CCC(c2nc(N)c(I)c(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H26IN3/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyXCPQFRWAWCWMQW-UHFFFAOYSA-N
XLogP4.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.64
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

6-tert-butyl-5-iodo-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66306827
6-tert-butyl-5-iodo-2-(oxan-3-yl)pyrimidin-4-amine
CID 66306241
5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
CID 66293175
5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
CID 66307600
2-cyclopropyl-5-iodo-6-methylpyrimidin-4-amine
CID 66307285
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65392249
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305298
6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298619
5-bromo-2-(4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 66303875
6-tert-butyl-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidin-4-amine
CID 66305037
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine (CID 66307233) is 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine is CC1(C)CCC(c2nc(N)c(I)c(C(C)(C)C)n2)CC1.
What is the InChIKey of 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine?
The InChIKey is XCPQFRWAWCWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine?
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine has a molecular weight of 387.31 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66307233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).