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

C20H17N3OS — CID 16666964

IUPACN-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C20H17N3OS/c1-23(15-8-10-16(24-2)11-9-15)20-18-17(12-13-25-18)21-19(22-20)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyINMJSDQFEIKNMM-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.13
Rot. Bonds4

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

N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 16666964) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID16666964
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C20H17N3OS/c1-23(15-8-10-16(24-2)11-9-15)20-18-17(12-13-25-18)21-19(22-20)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyINMJSDQFEIKNMM-UHFFFAOYSA-N
XLogP5.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine (CID 16666964) is N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(-c3ccccc3)nc3ccsc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is INMJSDQFEIKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-23(15-8-10-16(24-2)11-9-15)20-18-17(12-13-25-18)21-19(22-20)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 16666964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).