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

C13H20N4S — CID 62182672

IUPAC5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN(C)C(C)C)nc(N)c2c1C
InChIInChI=1S/C13H20N4S/c1-7(2)17(5)6-10-15-12(14)11-8(3)9(4)18-13(11)16-10/h7H,6H2,1-5H3,(H2,14,15,16)
InChIKeyFLEAVGXNKXQQPH-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.73
Rot. Bonds3

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

5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62182672) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62182672
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN(C)C(C)C)nc(N)c2c1C
InChIInChI=1S/C13H20N4S/c1-7(2)17(5)6-10-15-12(14)11-8(3)9(4)18-13(11)16-10/h7H,6H2,1-5H3,(H2,14,15,16)
InChIKeyFLEAVGXNKXQQPH-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62182672) is 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN(C)C(C)C)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FLEAVGXNKXQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-7(2)17(5)6-10-15-12(14)11-8(3)9(4)18-13(11)16-10/h7H,6H2,1-5H3,(H2,14,15,16).
What are the key properties of 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 264.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62182672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).