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

C19H15N3OS — CID 705975

IUPACN-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H15N3OS/c1-23-15-9-7-14(8-10-15)22-18-16-11-17(13-5-3-2-4-6-13)24-19(16)21-12-20-18/h2-12H,1H3,(H,20,21,22)
InChIKeyIYPYWVXJTGPEHH-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.11
Rot. Bonds4

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

N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 705975) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID705975
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H15N3OS/c1-23-15-9-7-14(8-10-15)22-18-16-11-17(13-5-3-2-4-6-13)24-19(16)21-12-20-18/h2-12H,1H3,(H,20,21,22)
InChIKeyIYPYWVXJTGPEHH-UHFFFAOYSA-N
XLogP5.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 705975) is N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IYPYWVXJTGPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-23-15-9-7-14(8-10-15)22-18-16-11-17(13-5-3-2-4-6-13)24-19(16)21-12-20-18/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 705975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).