N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride

C14H14ClN3O2S — CID 57422578

IUPACN-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3ccsc23)cc1OC.Cl
InChIInChI=1S/C14H13N3O2S.ClH/c1-18-11-4-3-9(7-12(11)19-2)17-14-13-10(5-6-20-13)15-8-16-14;/h3-8H,1-2H3,(H,15,16,17);1H
InChIKeyKIULQCMDWLFNEA-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.87
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride

N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 57422578) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID57422578
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3ccsc23)cc1OC.Cl
InChIInChI=1S/C14H13N3O2S.ClH/c1-18-11-4-3-9(7-12(11)19-2)17-14-13-10(5-6-20-13)15-8-16-14;/h3-8H,1-2H3,(H,15,16,17);1H
InChIKeyKIULQCMDWLFNEA-UHFFFAOYSA-N
XLogP3.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride (CID 57422578) is N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride is COc1ccc(Nc2ncnc3ccsc23)cc1OC.Cl.
What is the InChIKey of N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is KIULQCMDWLFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S.ClH/c1-18-11-4-3-9(7-12(11)19-2)17-14-13-10(5-6-20-13)15-8-16-14;/h3-8H,1-2H3,(H,15,16,17);1H.
What are the key properties of N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 323.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 57422578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).