[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

C14H13N3O2S2 — CID 22674411

IUPAC[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(NCCCO)nc2ccsc12
InChIInChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17)
InChIKeyBEHFCCCUBYKLIL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.78
Rot. Bonds6

About [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 22674411) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID22674411
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(NCCCO)nc2ccsc12
InChIInChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17)
InChIKeyBEHFCCCUBYKLIL-UHFFFAOYSA-N
XLogP2.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone 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-Aminothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 9903342
Thiophen-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 11278445
2-Ethylthieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674365
(2-Methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674372
(2-Methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674386
[2-(2-Hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674390
[2-(Ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674410
2-Hydrazinothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674428
[2-(Dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674456
[2-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477
1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674492
{6-Amino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230949

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 22674411) is [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc(NCCCO)nc2ccsc12.
What is the InChIKey of [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is BEHFCCCUBYKLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17).
What are the key properties of [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22674411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).