2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C14H15N3O2S — CID 83201180

IUPAC2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3c(n2)CSC3)c1OC
InChIInChI=1S/C14H15N3O2S/c1-18-11-5-3-4-8(12(11)19-2)14-16-10-7-20-6-9(10)13(15)17-14/h3-5H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyCYXFGZCAKDPVEA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.49
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83201180) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83201180
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3c(n2)CSC3)c1OC
InChIInChI=1S/C14H15N3O2S/c1-18-11-5-3-4-8(12(11)19-2)14-16-10-7-20-6-9(10)13(15)17-14/h3-5H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyCYXFGZCAKDPVEA-UHFFFAOYSA-N
XLogP2.49
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83201180) is 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is COc1cccc(-c2nc(N)c3c(n2)CSC3)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is CYXFGZCAKDPVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-18-11-5-3-4-8(12(11)19-2)14-16-10-7-20-6-9(10)13(15)17-14/h3-5H,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83201180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).