N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

C13H18N4OS — CID 91801780

IUPACN-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1cc2nc(NCCCN3CCOCC3)ncc2s1
InChIInChI=1S/C13H18N4OS/c1(4-17-5-7-18-8-6-17)3-14-13-15-10-12-11(16-13)2-9-19-12/h2,9-10H,1,3-8H2,(H,14,15,16)
InChIKeyGSTTVIOPAXHQDN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.83
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 91801780) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID91801780
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1cc2nc(NCCCN3CCOCC3)ncc2s1
InChIInChI=1S/C13H18N4OS/c1(4-17-5-7-18-8-6-17)3-14-13-15-10-12-11(16-13)2-9-19-12/h2,9-10H,1,3-8H2,(H,14,15,16)
InChIKeyGSTTVIOPAXHQDN-UHFFFAOYSA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)thieno[3,2-d]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

Related Compounds

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine
CID 3078806
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine (CID 91801780) is N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine is c1cc2nc(NCCCN3CCOCC3)ncc2s1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is GSTTVIOPAXHQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1(4-17-5-7-18-8-6-17)3-14-13-15-10-12-11(16-13)2-9-19-12/h2,9-10H,1,3-8H2,(H,14,15,16).
What are the key properties of N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 91801780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).