2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine

C15H22IN5 — CID 83085350

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1I
InChIInChI=1S/C15H22IN5/c1-7-17-14-11(16)9(2)18-13(19-14)10-8-21(6)20-12(10)15(3,4)5/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyYYMIFCXZCARRPH-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 83085350) has the molecular formula C15H22IN5 and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
PubChem CID83085350
Molecular FormulaC15H22IN5
Molecular Weight399.28 g/mol
Exact Mass399.09
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1I
InChIInChI=1S/C15H22IN5/c1-7-17-14-11(16)9(2)18-13(19-14)10-8-21(6)20-12(10)15(3,4)5/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyYYMIFCXZCARRPH-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-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-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 83094484
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 83090085
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
CID 83094396
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 83091370
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
CID 66305717

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine (CID 83085350) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine is CCNc1nc(-c2cn(C)nc2C(C)(C)C)nc(C)c1I.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is YYMIFCXZCARRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN5/c1-7-17-14-11(16)9(2)18-13(19-14)10-8-21(6)20-12(10)15(3,4)5/h8H,7H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 399.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 83085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).