2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine

C18H21N3O2S — CID 141096268

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(N(C)C)c3c(C)csc3n2)cc1OC
InChIInChI=1S/C18H21N3O2S/c1-11-10-24-18-16(11)17(21(2)3)19-15(20-18)9-12-6-7-13(22-4)14(8-12)23-5/h6-8,10H,9H2,1-5H3
InChIKeyFUQVORXYJUOGCP-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.67
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine

2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 141096268) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID141096268
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(N(C)C)c3c(C)csc3n2)cc1OC
InChIInChI=1S/C18H21N3O2S/c1-11-10-24-18-16(11)17(21(2)3)19-15(20-18)9-12-6-7-13(22-4)14(8-12)23-5/h6-8,10H,9H2,1-5H3
InChIKeyFUQVORXYJUOGCP-UHFFFAOYSA-N
XLogP3.67
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
2-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxy-5-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890011
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
2-[(3,4-dimethoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192366
5-(4-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890007
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889846
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
CID 62192255
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
2-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889971

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 141096268) is 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Cc2nc(N(C)C)c3c(C)csc3n2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FUQVORXYJUOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-10-24-18-16(11)17(21(2)3)19-15(20-18)9-12-6-7-13(22-4)14(8-12)23-5/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 343.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141096268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).