2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H24N4S — CID 62183070

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(NC)c2c(C)c(C)sc2n1)C(C)C
InChIInChI=1S/C15H24N4S/c1-7-19(9(2)3)8-12-17-14(16-6)13-10(4)11(5)20-15(13)18-12/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyHBSVZQZSNKJYOT-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.58
Rot. Bonds5

About 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62183070) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62183070
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(NC)c2c(C)c(C)sc2n1)C(C)C
InChIInChI=1S/C15H24N4S/c1-7-19(9(2)3)8-12-17-14(16-6)13-10(4)11(5)20-15(13)18-12/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyHBSVZQZSNKJYOT-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 62183070) is 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CCN(Cc1nc(NC)c2c(C)c(C)sc2n1)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HBSVZQZSNKJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-7-19(9(2)3)8-12-17-14(16-6)13-10(4)11(5)20-15(13)18-12/h9H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 292.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62183070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).