2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid

C10H13N3O2S — CID 83842954

IUPAC2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid
SMILESCc1nc(N(C)CC(=O)O)nc2c1CSC2
InChIInChI=1S/C10H13N3O2S/c1-6-7-4-16-5-8(7)12-10(11-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyZKTMFEZBCVTAIW-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.05
Rot. Bonds3

About 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid

2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid (PubChem CID 83842954) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid
PubChem CID83842954
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid
SMILESCc1nc(N(C)CC(=O)O)nc2c1CSC2
InChIInChI=1S/C10H13N3O2S/c1-6-7-4-16-5-8(7)12-10(11-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyZKTMFEZBCVTAIW-UHFFFAOYSA-N
XLogP1.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83839010
2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83842966
2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid
CID 83839006
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
2-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
CID 83845150
2-[[4,6-bis(ethenyl)pyrimidin-2-yl]-methylamino]acetic acid
CID 146316775
2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
CID 83839013
2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid
CID 83840029
N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
CID 83839523
2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
CID 83834011
2-[methyl-(8-methylisoquinolin-1-yl)amino]acetic acid
CID 82571214
2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 65169781

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid (CID 83842954) is 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid is Cc1nc(N(C)CC(=O)O)nc2c1CSC2.
What is the InChIKey of 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid?
The InChIKey is ZKTMFEZBCVTAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-7-4-16-5-8(7)12-10(11-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid?
2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid has a molecular weight of 239.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 83842954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).