4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

C17H17N3OS — CID 711223

IUPAC4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H17N3OS/c1-12-18-16(20-7-9-21-10-8-20)14-11-15(22-17(14)19-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyFSMZEHQTYAMEMO-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.50
Rot. Bonds2

About 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 711223) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID711223
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H17N3OS/c1-12-18-16(20-7-9-21-10-8-20)14-11-15(22-17(14)19-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyFSMZEHQTYAMEMO-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 711223) is 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is Cc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is FSMZEHQTYAMEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-18-16(20-7-9-21-10-8-20)14-11-15(22-17(14)19-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 311.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 711223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).