N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine

C14H15N3S2 — CID 55044818

IUPACN-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccsc2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-5-6-18-7-10/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyOZEPTDWQZNFRJY-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.47
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55044818) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55044818
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC NameN-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccsc2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-5-6-18-7-10/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyOZEPTDWQZNFRJY-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 55044818) is N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccsc2)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OZEPTDWQZNFRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-5-6-18-7-10/h5-7H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55044818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).