5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H14N4S2 — CID 61026249

IUPAC5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(Cc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C13H14N4S2/c1-6-5-18-10(15-6)4-9-16-12(14)11-7(2)8(3)19-13(11)17-9/h5H,4H2,1-3H3,(H2,14,16,17)
InChIKeyQQIWPANDRDWTTO-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.25
Rot. Bonds2

About 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 61026249) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID61026249
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(Cc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C13H14N4S2/c1-6-5-18-10(15-6)4-9-16-12(14)11-7(2)8(3)19-13(11)17-9/h5H,4H2,1-3H3,(H2,14,16,17)
InChIKeyQQIWPANDRDWTTO-UHFFFAOYSA-N
XLogP3.25
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.25
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-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 61026249) is 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1csc(Cc2nc(N)c3c(C)c(C)sc3n2)n1.
What is the InChIKey of 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QQIWPANDRDWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-6-5-18-10(15-6)4-9-16-12(14)11-7(2)8(3)19-13(11)17-9/h5H,4H2,1-3H3,(H2,14,16,17).
What are the key properties of 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 61026249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).