2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid

C9H10N4O3 — CID 83838602

IUPAC2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
SMILESCc1nc2c(C)nc(NCC(=O)O)nc2o1
InChIInChI=1S/C9H10N4O3/c1-4-7-8(16-5(2)12-7)13-9(11-4)10-3-6(14)15/h3H2,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyUECTVBSPIRBUNJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid

2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid (PubChem CID 83838602) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
PubChem CID83838602
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
SMILESCc1nc2c(C)nc(NCC(=O)O)nc2o1
InChIInChI=1S/C9H10N4O3/c1-4-7-8(16-5(2)12-7)13-9(11-4)10-3-6(14)15/h3H2,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyUECTVBSPIRBUNJ-UHFFFAOYSA-N
XLogP0.73
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid (CID 83838602) is 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid is Cc1nc2c(C)nc(NCC(=O)O)nc2o1.
What is the InChIKey of 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The InChIKey is UECTVBSPIRBUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-4-7-8(16-5(2)12-7)13-9(11-4)10-3-6(14)15/h3H2,1-2H3,(H,14,15)(H,10,11,13).
What are the key properties of 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,7-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 83838602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).