N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C20H24N4OS — CID 138687868

IUPACN-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C2CN(c3nc4c(c(NC5CCOCC5)n3)SCC4)C2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-4-14(5-3-1)15-12-24(13-15)20-22-17-8-11-26-18(17)19(23-20)21-16-6-9-25-10-7-16/h1-5,15-16H,6-13H2,(H,21,22,23)
InChIKeyFDFUJOWFMBNZLZ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.32
Rot. Bonds4

About N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 138687868) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID138687868
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C2CN(c3nc4c(c(NC5CCOCC5)n3)SCC4)C2)cc1
InChIInChI=1S/C20H24N4OS/c1-2-4-14(5-3-1)15-12-24(13-15)20-22-17-8-11-26-18(17)19(23-20)21-16-6-9-25-10-7-16/h1-5,15-16H,6-13H2,(H,21,22,23)
InChIKeyFDFUJOWFMBNZLZ-UHFFFAOYSA-N
XLogP3.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-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-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 138687868) is N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is c1ccc(C2CN(c3nc4c(c(NC5CCOCC5)n3)SCC4)C2)cc1.
What is the InChIKey of N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FDFUJOWFMBNZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-4-14(5-3-1)15-12-24(13-15)20-22-17-8-11-26-18(17)19(23-20)21-16-6-9-25-10-7-16/h1-5,15-16H,6-13H2,(H,21,22,23).
What are the key properties of N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138687868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).