4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

C14H18N4O2S — CID 83567510

IUPAC4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(-c2cccs2)nc1N
InChIInChI=1S/C14H18N4O2S/c1-2-20-7-4-6-16-14(19)10-9-17-13(18-12(10)15)11-5-3-8-21-11/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyKRIQXIAXYZJZFK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.94
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 83567510) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID83567510
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(-c2cccs2)nc1N
InChIInChI=1S/C14H18N4O2S/c1-2-20-7-4-6-16-14(19)10-9-17-13(18-12(10)15)11-5-3-8-21-11/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyKRIQXIAXYZJZFK-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide 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-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 83567510) is 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is CCOCCCNC(=O)c1cnc(-c2cccs2)nc1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is KRIQXIAXYZJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-20-7-4-6-16-14(19)10-9-17-13(18-12(10)15)11-5-3-8-21-11/h3,5,8-9H,2,4,6-7H2,1H3,(H,16,19)(H2,15,17,18).
What are the key properties of 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).