2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine

C13H20IN3 — CID 66302086

IUPAC2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCC1CCCC(c2ncc(I)c(NC)n2)C1
InChIInChI=1S/C13H20IN3/c1-3-9-5-4-6-10(7-9)12-16-8-11(14)13(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyAXWLJEDXVHPNJM-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.81
Rot. Bonds3

About 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine

2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66302086) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66302086
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCC1CCCC(c2ncc(I)c(NC)n2)C1
InChIInChI=1S/C13H20IN3/c1-3-9-5-4-6-10(7-9)12-16-8-11(14)13(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyAXWLJEDXVHPNJM-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.81
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

2-(4-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302905
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301879
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65412798
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66304538
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212
4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile
CID 65413263
5-(bromomethyl)-4-(difluoromethyl)-2-(3-ethylcyclohexyl)pyrimidine
CID 114205872
3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618664
5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66301834

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66302086) is 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine is CCC1CCCC(c2ncc(I)c(NC)n2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is AXWLJEDXVHPNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3/c1-3-9-5-4-6-10(7-9)12-16-8-11(14)13(15-2)17-12/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine?
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 345.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).