6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine

C16H26IN3O — CID 116776714

IUPAC6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(C(C)(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H26IN3O/c1-10-6-8-16(21-5,9-7-10)14-19-12(15(2,3)4)11(17)13(18)20-14/h10H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyZOOXCQPDVUQVBL-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.01
Rot. Bonds2

About 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine

6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 116776714) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID116776714
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(C(C)(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H26IN3O/c1-10-6-8-16(21-5,9-7-10)14-19-12(15(2,3)4)11(17)13(18)20-14/h10H,6-9H2,1-5H3,(H2,18,19,20)
InChIKeyZOOXCQPDVUQVBL-UHFFFAOYSA-N
XLogP4.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
6-tert-butyl-5-iodo-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66306827
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
4-amino-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
CID 116782062
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66307233
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine (CID 116776714) is 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine is COC1(c2nc(N)c(I)c(C(C)(C)C)n2)CCC(C)CC1.
What is the InChIKey of 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ZOOXCQPDVUQVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-10-6-8-16(21-5,9-7-10)14-19-12(15(2,3)4)11(17)13(18)20-14/h10H,6-9H2,1-5H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 116776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).