(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine

C14H13N3OS — CID 107657529

IUPAC(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESCc1ccc(CN)cc1Oc1ncnc2ccsc12
InChIInChI=1S/C14H13N3OS/c1-9-2-3-10(7-15)6-12(9)18-14-13-11(4-5-19-13)16-8-17-14/h2-6,8H,7,15H2,1H3
InChIKeyXAOOLMOXTJRXCU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.25
Rot. Bonds3

About (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine

(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine (PubChem CID 107657529) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
PubChem CID107657529
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESCc1ccc(CN)cc1Oc1ncnc2ccsc12
InChIInChI=1S/C14H13N3OS/c1-9-2-3-10(7-15)6-12(9)18-14-13-11(4-5-19-13)16-8-17-14/h2-6,8H,7,15H2,1H3
InChIKeyXAOOLMOXTJRXCU-UHFFFAOYSA-N
XLogP3.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine 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-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43520274
4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427
(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 114323860
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
CID 83132793
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
CID 107657383
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55142521
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine
CID 107657466
5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
CID 61396250
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
CID 24561411
4-[4-(6,10-dimethylpyren-1-yl)-3-methylphenoxy]thieno[3,2-d]pyrimidine
CID 151544113

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The IUPAC name of (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine (CID 107657529) is (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine.
What is the SMILES notation for (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The canonical SMILES for (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine is Cc1ccc(CN)cc1Oc1ncnc2ccsc12.
What is the InChIKey of (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
The InChIKey is XAOOLMOXTJRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-2-3-10(7-15)6-12(9)18-14-13-11(4-5-19-13)16-8-17-14/h2-6,8H,7,15H2,1H3.
What are the key properties of (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine?
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine has a molecular weight of 271.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine is sourced from PubChem (CID 107657529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).