2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H20N6S — CID 75476988

IUPAC2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nnc(C(C)C)n2C)c2ccsc2n1
InChIInChI=1S/C15H20N6S/c1-5-11-17-13(10-6-7-22-15(10)18-11)16-8-12-19-20-14(9(2)3)21(12)4/h6-7,9H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyMXYIOJNHFJYQIF-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.12
Rot. Bonds5

About 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 75476988) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID75476988
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nnc(C(C)C)n2C)c2ccsc2n1
InChIInChI=1S/C15H20N6S/c1-5-11-17-13(10-6-7-22-15(10)18-11)16-8-12-19-20-14(9(2)3)21(12)4/h6-7,9H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyMXYIOJNHFJYQIF-UHFFFAOYSA-N
XLogP3.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 75476988) is 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2nnc(C(C)C)n2C)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MXYIOJNHFJYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-5-11-17-13(10-6-7-22-15(10)18-11)16-8-12-19-20-14(9(2)3)21(12)4/h6-7,9H,5,8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 316.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75476988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).