N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

C15H19IN4O — CID 82733244

IUPACN-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2CC)nc(COC)c1I
InChIInChI=1S/C15H19IN4O/c1-4-10-7-6-8-18-13(10)15-19-11(9-21-3)12(16)14(20-15)17-5-2/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyAUKQIVRSBBVIRS-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.28
Rot. Bonds6

About N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82733244) has the molecular formula C15H19IN4O and a molecular weight of 398.25 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID82733244
Molecular FormulaC15H19IN4O
Molecular Weight398.25 g/mol
Exact Mass398.06
IUPAC NameN-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2CC)nc(COC)c1I
InChIInChI=1S/C15H19IN4O/c1-4-10-7-6-8-18-13(10)15-19-11(9-21-3)12(16)14(20-15)17-5-2/h6-8H,4-5,9H2,1-3H3,(H,17,19,20)
InChIKeyAUKQIVRSBBVIRS-UHFFFAOYSA-N
XLogP3.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (CID 82733244) is N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(-c2ncccc2CC)nc(COC)c1I.
What is the InChIKey of N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is AUKQIVRSBBVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4O/c1-4-10-7-6-8-18-13(10)15-19-11(9-21-3)12(16)14(20-15)17-5-2/h6-8H,4-5,9H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 398.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).