methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate

C18H19N3O2S — CID 4549818

IUPACmethyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc(NCc2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-13-7-5-4-6-8-13)20-14(21-18)9-15(22)23-3/h4-8H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyFGULXTPITRZPNC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.64
Rot. Bonds5

About methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate

methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate (PubChem CID 4549818) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
PubChem CID4549818
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Namemethyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc(NCc2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-13-7-5-4-6-8-13)20-14(21-18)9-15(22)23-3/h4-8H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyFGULXTPITRZPNC-UHFFFAOYSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 23764717
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
6-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91964727
5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9266914
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126537715
4-[[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 17436880
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
2-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-hydroxybutanoic acid
CID 91964721
7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]heptanoic acid
CID 18378891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate (CID 4549818) is methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate is COC(=O)Cc1nc(NCc2ccccc2)c2c(C)c(C)sc2n1.
What is the InChIKey of methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate?
The InChIKey is FGULXTPITRZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-13-7-5-4-6-8-13)20-14(21-18)9-15(22)23-3/h4-8H,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate?
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate has a molecular weight of 341.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate is sourced from PubChem (CID 4549818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).