6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C20H17N3OS — CID 45275172

IUPAC6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-9-5-8-14(11-15)19-22-18(21)17-12-16(25-20(17)23-19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H2,21,22,23)
InChIKeyULJTUNXFPWCVPW-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.54
Rot. Bonds4

About 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275172) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275172
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-9-5-8-14(11-15)19-22-18(21)17-12-16(25-20(17)23-19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H2,21,22,23)
InChIKeyULJTUNXFPWCVPW-UHFFFAOYSA-N
XLogP4.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thienopyrimidine deriv. 15
CID 6539992
5-[2-(2,5-Dimethoxyphenyl)ethyl]thieno[2,3-D]pyrimidine-2,4-Diamine
CID 457378
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
6-(2,5-Dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 457372
6-(2,5-Dimethoxybenzyl)-5-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 457373
5-Methyl-6-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 457375
5-Methyl-6-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 457376
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

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275172) is 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.
What is the InChIKey of 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ULJTUNXFPWCVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-15-9-5-8-14(11-15)19-22-18(21)17-12-16(25-20(17)23-19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).