N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H15N3S2 — CID 62502874

IUPACN,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3S2/c1-8-9(2)19-14-12(8)13(15-3)16-11(17-14)7-10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyKTUMJRPKWQZXJR-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.00
Rot. Bonds3

About N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62502874) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62502874
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC NameN,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3S2/c1-8-9(2)19-14-12(8)13(15-3)16-11(17-14)7-10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyKTUMJRPKWQZXJR-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62502874) is N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(Cc2cccs2)nc2sc(C)c(C)c12.
What is the InChIKey of N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KTUMJRPKWQZXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-8-9(2)19-14-12(8)13(15-3)16-11(17-14)7-10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,15,16,17).
What are the key properties of N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62502874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).