2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine

C16H20IN3 — CID 66297158

IUPAC2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cc2C)nc(CC)c1I
InChIInChI=1S/C16H20IN3/c1-5-13-14(17)16(18-6-2)20-15(19-13)12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyRFQYROQBLCXMLT-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.36
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine

2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 66297158) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID66297158
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cc2C)nc(CC)c1I
InChIInChI=1S/C16H20IN3/c1-5-13-14(17)16(18-6-2)20-15(19-13)12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyRFQYROQBLCXMLT-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-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

N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63561539
2-(2,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480845
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296963

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine (CID 66297158) is 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccc(C)cc2C)nc(CC)c1I.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is RFQYROQBLCXMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-5-13-14(17)16(18-6-2)20-15(19-13)12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66297158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).