6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine

C15H20IN3O — CID 104806799

IUPAC6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H20IN3O/c1-6-17-13-10(16)12(15(3,4)5)18-14(19-13)11-9(2)7-8-20-11/h7-8H,6H2,1-5H3,(H,17,18,19)
InChIKeySQYZJARPFSZDIP-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.38
Rot. Bonds3

About 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine

6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 104806799) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID104806799
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H20IN3O/c1-6-17-13-10(16)12(15(3,4)5)18-14(19-13)11-9(2)7-8-20-11/h7-8H,6H2,1-5H3,(H,17,18,19)
InChIKeySQYZJARPFSZDIP-UHFFFAOYSA-N
XLogP4.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)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

Related Compounds

5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806787
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 104806784
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806560
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66296552
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine (CID 104806799) is 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine is CCNc1nc(-c2occc2C)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is SQYZJARPFSZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O/c1-6-17-13-10(16)12(15(3,4)5)18-14(19-13)11-9(2)7-8-20-11/h7-8H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 385.25 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104806799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).