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

C15H15N3O2S — CID 2457290

IUPACN-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)cc1OC
InChIInChI=1S/C15H15N3O2S/c1-19-12-4-3-10(7-13(12)20-2)8-16-14-11-5-6-21-15(11)18-9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyYXYGDMMEZDEEIS-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.32
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2457290) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2457290
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)cc1OC
InChIInChI=1S/C15H15N3O2S/c1-19-12-4-3-10(7-13(12)20-2)8-16-14-11-5-6-21-15(11)18-9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyYXYGDMMEZDEEIS-UHFFFAOYSA-N
XLogP3.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9196193
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
T5282004
CID 2468821
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 4797534
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450
4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 982736

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2457290) is N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3sccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YXYGDMMEZDEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-19-12-4-3-10(7-13(12)20-2)8-16-14-11-5-6-21-15(11)18-9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2457290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).