2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine

C14H22IN3O — CID 116777104

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOC1(c2ncc(I)c(NC)n2)CCC(C)CC1
InChIInChI=1S/C14H22IN3O/c1-4-19-14(7-5-10(2)6-8-14)13-17-9-11(15)12(16-3)18-13/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyUMKUZSBSWMVGQM-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.56
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 116777104) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID116777104
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOC1(c2ncc(I)c(NC)n2)CCC(C)CC1
InChIInChI=1S/C14H22IN3O/c1-4-19-14(7-5-10(2)6-8-14)13-17-9-11(15)12(16-3)18-13/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyUMKUZSBSWMVGQM-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.56
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-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778805
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine (CID 116777104) is 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine is CCOC1(c2ncc(I)c(NC)n2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is UMKUZSBSWMVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O/c1-4-19-14(7-5-10(2)6-8-14)13-17-9-11(15)12(16-3)18-13/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 375.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116777104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).