2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3OS — CID 93214406

IUPAC2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C15H14ClN3OS/c1-20-8-7-17-13-11-9-12(10-5-3-2-4-6-10)21-14(11)19-15(16)18-13/h2-6,9H,7-8H2,1H3,(H,17,18,19)
InChIKeyODIBZFFUBFKHPB-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.07
Rot. Bonds5

About 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 93214406) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID93214406
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C15H14ClN3OS/c1-20-8-7-17-13-11-9-12(10-5-3-2-4-6-10)21-14(11)19-15(16)18-13/h2-6,9H,7-8H2,1H3,(H,17,18,19)
InChIKeyODIBZFFUBFKHPB-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 93214406) is 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(Cl)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ODIBZFFUBFKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-8-7-17-13-11-9-12(10-5-3-2-4-6-10)21-14(11)19-15(16)18-13/h2-6,9H,7-8H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 93214406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).