6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine

C12H14N6OS — CID 106598650

IUPAC6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ncn(C)n3)nc(NC)nc2s1
InChIInChI=1S/C12H14N6OS/c1-4-7-5-8-9(19-12-14-6-18(3)17-12)15-11(13-2)16-10(8)20-7/h5-6H,4H2,1-3H3,(H,13,15,16)
InChIKeySQEMGEDMPQOJNE-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.22
Rot. Bonds4

About 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine

6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 106598650) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
PubChem CID106598650
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ncn(C)n3)nc(NC)nc2s1
InChIInChI=1S/C12H14N6OS/c1-4-7-5-8-9(19-12-14-6-18(3)17-12)15-11(13-2)16-10(8)20-7/h5-6H,4H2,1-3H3,(H,13,15,16)
InChIKeySQEMGEDMPQOJNE-UHFFFAOYSA-N
XLogP2.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106598874
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
6-ethyl-4-(1-ethylpyrazol-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333513
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025
6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334389
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
6-ethyl-N-methyl-4-pyrimidin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334120

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine (CID 106598650) is 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Oc3ncn(C)n3)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is SQEMGEDMPQOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-4-7-5-8-9(19-12-14-6-18(3)17-12)15-11(13-2)16-10(8)20-7/h5-6H,4H2,1-3H3,(H,13,15,16).
What are the key properties of 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 290.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 106598650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).