2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine

C14H18IN3S — CID 66297690

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(C)sc2C)nc(NC)c1I
InChIInChI=1S/C14H18IN3S/c1-5-6-11-12(15)14(16-4)18-13(17-11)10-7-8(2)19-9(10)3/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyKSZLKJOOCCPNES-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.42
Rot. Bonds4

About 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine

2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66297690) has the molecular formula C14H18IN3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66297690
Molecular FormulaC14H18IN3S
Molecular Weight387.29 g/mol
Exact Mass387.03
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(C)sc2C)nc(NC)c1I
InChIInChI=1S/C14H18IN3S/c1-5-6-11-12(15)14(16-4)18-13(17-11)10-7-8(2)19-9(10)3/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyKSZLKJOOCCPNES-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-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

2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66296435
5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295569
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
[2-(2,5-dimethylthiophen-3-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 62252217
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 66297690) is 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2cc(C)sc2C)nc(NC)c1I.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is KSZLKJOOCCPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3S/c1-5-6-11-12(15)14(16-4)18-13(17-11)10-7-8(2)19-9(10)3/h7H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 387.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).