N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine

C20H17N3O2S — CID 42628931

IUPACN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXDPJRGCCJOHFKO-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine

N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 42628931) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
PubChem CID42628931
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXDPJRGCCJOHFKO-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine (CID 42628931) is N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is XDPJRGCCJOHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 42628931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).