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

C12H11N5S — CID 63988359

IUPAC5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccncn3)nc(N)c2c1C
InChIInChI=1S/C12H11N5S/c1-6-7(2)18-12-9(6)10(13)16-11(17-12)8-3-4-14-5-15-8/h3-5H,1-2H3,(H2,13,16,17)
InChIKeyQQYOBDKWKWPMMH-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.35
Rot. Bonds1

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

5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63988359) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63988359
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccncn3)nc(N)c2c1C
InChIInChI=1S/C12H11N5S/c1-6-7(2)18-12-9(6)10(13)16-11(17-12)8-3-4-14-5-15-8/h3-5H,1-2H3,(H2,13,16,17)
InChIKeyQQYOBDKWKWPMMH-UHFFFAOYSA-N
XLogP2.35
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 63988359) is 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccncn3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QQYOBDKWKWPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-6-7(2)18-12-9(6)10(13)16-11(17-12)8-3-4-14-5-15-8/h3-5H,1-2H3,(H2,13,16,17).
What are the key properties of 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63988359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).