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

C16H26IN3O — CID 116777303

IUPAC5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(CC(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H26IN3O/c1-10(2)9-12-13(17)14(18)20-15(19-12)16(21-4)7-5-11(3)6-8-16/h10-11H,5-9H2,1-4H3,(H2,18,19,20)
InChIKeyXFGPPCRXWHLWQH-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.91
Rot. Bonds4

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

5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 116777303) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID116777303
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(I)c(CC(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H26IN3O/c1-10(2)9-12-13(17)14(18)20-15(19-12)16(21-4)7-5-11(3)6-8-16/h10-11H,5-9H2,1-4H3,(H2,18,19,20)
InChIKeyXFGPPCRXWHLWQH-UHFFFAOYSA-N
XLogP3.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.91
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

6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742557
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
1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 116779189
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 116742460

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 116777303) is 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine is COC1(c2nc(N)c(I)c(CC(C)C)n2)CCC(C)CC1.
What is the InChIKey of 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is XFGPPCRXWHLWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-10(2)9-12-13(17)14(18)20-15(19-12)16(21-4)7-5-11(3)6-8-16/h10-11H,5-9H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 116777303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).