4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

C12H16N4OS — CID 50980116

IUPAC4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2scnc2C)n1
InChIInChI=1S/C12H16N4OS/c1-3-17-11-5-7-14-12(16-11)13-6-4-10-9(2)15-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyBZLFLKVWIIVQFP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.29
Rot. Bonds6

About 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 50980116) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID50980116
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2scnc2C)n1
InChIInChI=1S/C12H16N4OS/c1-3-17-11-5-7-14-12(16-11)13-6-4-10-9(2)15-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyBZLFLKVWIIVQFP-UHFFFAOYSA-N
XLogP2.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-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 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (CID 50980116) is 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2scnc2C)n1.
What is the InChIKey of 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is BZLFLKVWIIVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-17-11-5-7-14-12(16-11)13-6-4-10-9(2)15-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16).
What are the key properties of 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 50980116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).