[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol

C20H17N3OS — CID 127027073

IUPAC[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C20H17N3OS/c24-12-15-6-8-16(9-7-15)18-10-17-19(22-13-23-20(17)25-18)21-11-14-4-2-1-3-5-14/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKeyJRTODMUHCBYSOI-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.46
Rot. Bonds5

About [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol

[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol (PubChem CID 127027073) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
PubChem CID127027073
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C20H17N3OS/c24-12-15-6-8-16(9-7-15)18-10-17-19(22-13-23-20(17)25-18)21-11-14-4-2-1-3-5-14/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKeyJRTODMUHCBYSOI-UHFFFAOYSA-N
XLogP4.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The IUPAC name of [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol (CID 127027073) is [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol is OCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3s2)cc1.
What is the InChIKey of [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The InChIKey is JRTODMUHCBYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-12-15-6-8-16(9-7-15)18-10-17-19(22-13-23-20(17)25-18)21-11-14-4-2-1-3-5-14/h1-10,13,24H,11-12H2,(H,21,22,23).
What are the key properties of [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
[4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol has a molecular weight of 347.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol is sourced from PubChem (CID 127027073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).