N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C19H18N6OS — CID 155460600

IUPACN-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(-n2cc(C3COC3)nn2)cc1
InChIInChI=1S/C19H18N6OS/c1-12(22-18-16-6-7-27-19(16)21-11-20-18)13-2-4-15(5-3-13)25-8-17(23-24-25)14-9-26-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,20,21,22)
InChIKeyYZTPGXNCDRYQBT-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.56
Rot. Bonds5

About N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155460600) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155460600
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccc(-n2cc(C3COC3)nn2)cc1
InChIInChI=1S/C19H18N6OS/c1-12(22-18-16-6-7-27-19(16)21-11-20-18)13-2-4-15(5-3-13)25-8-17(23-24-25)14-9-26-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,20,21,22)
InChIKeyYZTPGXNCDRYQBT-UHFFFAOYSA-N
XLogP3.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]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 N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155460600) is N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccc(-n2cc(C3COC3)nn2)cc1.
What is the InChIKey of N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YZTPGXNCDRYQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-12(22-18-16-6-7-27-19(16)21-11-20-18)13-2-4-15(5-3-13)25-8-17(23-24-25)14-9-26-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 378.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(oxetan-3-yl)triazol-1-yl]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155460600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).