N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine

C14H16IN3 — CID 66302305

IUPACN-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)ncc1I
InChIInChI=1S/C14H16IN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNQCBIXUSVXHRTB-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine

N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66302305) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66302305
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)ncc1I
InChIInChI=1S/C14H16IN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNQCBIXUSVXHRTB-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.74
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-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine (CID 66302305) is N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccc(CC)cc2)ncc1I.
What is the InChIKey of N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is NQCBIXUSVXHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-10-5-7-11(8-6-10)13-17-9-12(15)14(18-13)16-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine?
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66302305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).