N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine

C12H18IN3 — CID 66343239

IUPACN-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCCCC1Nc1ncncc1I
InChIInChI=1S/C12H18IN3/c1-2-9-5-3-4-6-11(9)16-12-10(13)7-14-8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16)
InChIKeyBVJCNSRXFFFSPJ-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.46
Rot. Bonds3

About N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine

N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine (PubChem CID 66343239) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
PubChem CID66343239
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC NameN-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCCCC1Nc1ncncc1I
InChIInChI=1S/C12H18IN3/c1-2-9-5-3-4-6-11(9)16-12-10(13)7-14-8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16)
InChIKeyBVJCNSRXFFFSPJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine (CID 66343239) is N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine is CCC1CCCCC1Nc1ncncc1I.
What is the InChIKey of N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The InChIKey is BVJCNSRXFFFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-2-9-5-3-4-6-11(9)16-12-10(13)7-14-8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine has a molecular weight of 331.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66343239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).