3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C15H15N3O2S — CID 82342140

IUPAC3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(Cc3ccc(CN)cc3)c(=O)[nH]c2s1
InChIInChI=1S/C15H15N3O2S/c1-9-6-12-13(21-9)17-15(20)18(14(12)19)8-11-4-2-10(7-16)3-5-11/h2-6H,7-8,16H2,1H3,(H,17,20)
InChIKeySDRZTXNPAUHVJO-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.57
Rot. Bonds3

About 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342140) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342140
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2c(=O)n(Cc3ccc(CN)cc3)c(=O)[nH]c2s1
InChIInChI=1S/C15H15N3O2S/c1-9-6-12-13(21-9)17-15(20)18(14(12)19)8-11-4-2-10(7-16)3-5-11/h2-6H,7-8,16H2,1H3,(H,17,20)
InChIKeySDRZTXNPAUHVJO-UHFFFAOYSA-N
XLogP1.57
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342140) is 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1cc2c(=O)n(Cc3ccc(CN)cc3)c(=O)[nH]c2s1.
What is the InChIKey of 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SDRZTXNPAUHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-6-12-13(21-9)17-15(20)18(14(12)19)8-11-4-2-10(7-16)3-5-11/h2-6H,7-8,16H2,1H3,(H,17,20).
What are the key properties of 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)phenyl]methyl]-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).