N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine

C10H14N4S — CID 102686176

IUPACN'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1csc2c(NCCCN)ncnc12
InChIInChI=1S/C10H14N4S/c1-7-5-15-9-8(7)13-6-14-10(9)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyUFZVISLDOLXQSO-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.76
Rot. Bonds4

About N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine

N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 102686176) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID102686176
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1csc2c(NCCCN)ncnc12
InChIInChI=1S/C10H14N4S/c1-7-5-15-9-8(7)13-6-14-10(9)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyUFZVISLDOLXQSO-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine 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

4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686665
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372

Frequently Asked Questions

What is the IUPAC name of N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (CID 102686176) is N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is Cc1csc2c(NCCCN)ncnc12.
What is the InChIKey of N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is UFZVISLDOLXQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7-5-15-9-8(7)13-6-14-10(9)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 222.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 102686176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).