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

C13H18N4S — CID 62585668

IUPACN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
SMILESCNCC1CCCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyUAIBOTZLOBQAGJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.27
Rot. Bonds3

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

N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine (PubChem CID 62585668) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
PubChem CID62585668
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
SMILESCNCC1CCCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyUAIBOTZLOBQAGJ-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine (CID 62585668) is N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine is CNCC1CCCCN1c1ncnc2ccsc12.
What is the InChIKey of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The InChIKey is UAIBOTZLOBQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3.
What are the key properties of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 62585668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).