3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide

C21H26N6O2S — CID 67051946

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(-c2nc(NC(=O)CCN3CCC(N(C)C)C3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C21H26N6O2S/c1-14-4-5-17(29-14)20-23-16(21-22-8-11-30-21)12-18(25-20)24-19(28)7-10-27-9-6-15(13-27)26(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,23,24,25,28)
InChIKeyYDEBGCHZWNBSQS-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.13
Rot. Bonds7

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide

3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide (PubChem CID 67051946) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide
PubChem CID67051946
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(-c2nc(NC(=O)CCN3CCC(N(C)C)C3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C21H26N6O2S/c1-14-4-5-17(29-14)20-23-16(21-22-8-11-30-21)12-18(25-20)24-19(28)7-10-27-9-6-15(13-27)26(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,23,24,25,28)
InChIKeyYDEBGCHZWNBSQS-UHFFFAOYSA-N
XLogP3.13
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide 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 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide (CID 67051946) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide is Cc1ccc(-c2nc(NC(=O)CCN3CCC(N(C)C)C3)cc(-c3nccs3)n2)o1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide?
The InChIKey is YDEBGCHZWNBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-14-4-5-17(29-14)20-23-16(21-22-8-11-30-21)12-18(25-20)24-19(28)7-10-27-9-6-15(13-27)26(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,23,24,25,28).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide?
3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide has a molecular weight of 426.55 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 67051946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).