(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine

C13H18N4S — CID 114273481

IUPAC(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine
SMILESCC1CCCN(c2ncc3ccsc3n2)C1CN
InChIInChI=1S/C13H18N4S/c1-9-3-2-5-17(11(9)7-14)13-15-8-10-4-6-18-12(10)16-13/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyORCBOIWGIZHZMI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.25
Rot. Bonds2

About (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine

(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine (PubChem CID 114273481) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine
PubChem CID114273481
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine
SMILESCC1CCCN(c2ncc3ccsc3n2)C1CN
InChIInChI=1S/C13H18N4S/c1-9-3-2-5-17(11(9)7-14)13-15-8-10-4-6-18-12(10)16-13/h4,6,8-9,11H,2-3,5,7,14H2,1H3
InChIKeyORCBOIWGIZHZMI-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)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

[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 114787115
1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
CID 114273480
(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 114273407
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
CID 105367345
2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273514
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875877
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66317614
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine?
The IUPAC name of (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine (CID 114273481) is (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine is CC1CCCN(c2ncc3ccsc3n2)C1CN.
What is the InChIKey of (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine?
The InChIKey is ORCBOIWGIZHZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-3-2-5-17(11(9)7-14)13-15-8-10-4-6-18-12(10)16-13/h4,6,8-9,11H,2-3,5,7,14H2,1H3.
What are the key properties of (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine?
(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 114273481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).