[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol

C22H21N3O2S — CID 46948658

IUPAC[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol
SMILESCOCCNc1nc(-c2ccccc2CO)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H21N3O2S/c1-27-12-11-23-22-24-18-13-19(15-7-3-2-4-8-15)28-21(18)20(25-22)17-10-6-5-9-16(17)14-26/h2-10,13,26H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyBYYFTWGWHJOVSN-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.58
Rot. Bonds7

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

[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol (PubChem CID 46948658) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol
PubChem CID46948658
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol
SMILESCOCCNc1nc(-c2ccccc2CO)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H21N3O2S/c1-27-12-11-23-22-24-18-13-19(15-7-3-2-4-8-15)28-21(18)20(25-22)17-10-6-5-9-16(17)14-26/h2-10,13,26H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyBYYFTWGWHJOVSN-UHFFFAOYSA-N
XLogP4.58
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol (CID 46948658) is [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol is COCCNc1nc(-c2ccccc2CO)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol?
The InChIKey is BYYFTWGWHJOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-27-12-11-23-22-24-18-13-19(15-7-3-2-4-8-15)28-21(18)20(25-22)17-10-6-5-9-16(17)14-26/h2-10,13,26H,11-12,14H2,1H3,(H,23,24,25).
What are the key properties of [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol?
[2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol has a molecular weight of 391.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 46948658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).