2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid

C14H17N3O5S — CID 119171989

IUPAC2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)O)sc2n1
InChIInChI=1S/C14H17N3O5S/c1-7-10-12(22-4)15-8(6-21-3)16-13(10)23-11(7)14(20)17(2)5-9(18)19/h5-6H2,1-4H3,(H,18,19)
InChIKeyMHGCXRCKSMCNBG-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.31
Rot. Bonds6

About 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid

2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid (PubChem CID 119171989) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
PubChem CID119171989
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)O)sc2n1
InChIInChI=1S/C14H17N3O5S/c1-7-10-12(22-4)15-8(6-21-3)16-13(10)23-11(7)14(20)17(2)5-9(18)19/h5-6H2,1-4H3,(H,18,19)
InChIKeyMHGCXRCKSMCNBG-UHFFFAOYSA-N
XLogP1.31
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid (CID 119171989) is 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid is COCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)O)sc2n1.
What is the InChIKey of 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid?
The InChIKey is MHGCXRCKSMCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-7-10-12(22-4)15-8(6-21-3)16-13(10)23-11(7)14(20)17(2)5-9(18)19/h5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid?
2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid has a molecular weight of 339.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119171989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).