(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine

C13H18N4S — CID 114273407

IUPAC(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
SMILESCC1(CN)CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C13H18N4S/c1-13(9-14)3-5-17(6-4-13)12-15-8-10-2-7-18-11(10)16-12/h2,7-8H,3-6,9,14H2,1H3
InChIKeyOOSPPLFMEJAUDF-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.26
Rot. Bonds2

About (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine

(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine (PubChem CID 114273407) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
PubChem CID114273407
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
SMILESCC1(CN)CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C13H18N4S/c1-13(9-14)3-5-17(6-4-13)12-15-8-10-2-7-18-11(10)16-12/h2,7-8H,3-6,9,14H2,1H3
InChIKeyOOSPPLFMEJAUDF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-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-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
CID 114273480
4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine
CID 66758410
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160463
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
5-[[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123350907
[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine
CID 126982100
[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800974
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
[3-methyl-1-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 130900771
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine?
The IUPAC name of (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine (CID 114273407) is (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine is CC1(CN)CCN(c2ncc3ccsc3n2)CC1.
What is the InChIKey of (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine?
The InChIKey is OOSPPLFMEJAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(9-14)3-5-17(6-4-13)12-15-8-10-2-7-18-11(10)16-12/h2,7-8H,3-6,9,14H2,1H3.
What are the key properties of (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine?
(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 114273407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).