N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H18N4OS — CID 166245983

IUPACN-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCC3CCOCC3)c3ccsc3n2)nc1
InChIInChI=1S/C17H18N4OS/c1-2-7-18-14(3-1)16-20-15(13-6-10-23-17(13)21-16)19-11-12-4-8-22-9-5-12/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,19,20,21)
InChIKeyWAJYMASFQTYEKJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.59
Rot. Bonds4

About N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166245983) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166245983
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCC3CCOCC3)c3ccsc3n2)nc1
InChIInChI=1S/C17H18N4OS/c1-2-7-18-14(3-1)16-20-15(13-6-10-23-17(13)21-16)19-11-12-4-8-22-9-5-12/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,19,20,21)
InChIKeyWAJYMASFQTYEKJ-UHFFFAOYSA-N
XLogP3.59
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[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-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166245983) is N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2nc(NCC3CCOCC3)c3ccsc3n2)nc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WAJYMASFQTYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-7-18-14(3-1)16-20-15(13-6-10-23-17(13)21-16)19-11-12-4-8-22-9-5-12/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,19,20,21).
What are the key properties of N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 326.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).