N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C14H20N4S — CID 115599545

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCN1CCC(CCNc2ncnc3ccsc23)CC1
InChIInChI=1S/C14H20N4S/c1-18-7-3-11(4-8-18)2-6-15-14-13-12(5-9-19-13)16-10-17-14/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyRUTWHWNQBALYTE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 115599545) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID115599545
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCN1CCC(CCNc2ncnc3ccsc23)CC1
InChIInChI=1S/C14H20N4S/c1-18-7-3-11(4-8-18)2-6-15-14-13-12(5-9-19-13)16-10-17-14/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyRUTWHWNQBALYTE-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 115599545) is N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is CN1CCC(CCNc2ncnc3ccsc23)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RUTWHWNQBALYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18-7-3-11(4-8-18)2-6-15-14-13-12(5-9-19-13)16-10-17-14/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 115599545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).