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

C10H13N3O3 — CID 83839006

IUPAC2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc2c(c(N(C)CC(=O)O)n1)COC2
InChIInChI=1S/C10H13N3O3/c1-6-11-8-5-16-4-7(8)10(12-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyWDXMGTYSCWGALH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.34
Rot. Bonds3

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

2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 83839006) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID83839006
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc2c(c(N(C)CC(=O)O)n1)COC2
InChIInChI=1S/C10H13N3O3/c1-6-11-8-5-16-4-7(8)10(12-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyWDXMGTYSCWGALH-UHFFFAOYSA-N
XLogP0.34
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid with MolForge

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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-[(5-bromo-2,6-dimethylpyrimidin-4-yl)-methylamino]acetic acid
CID 83845150
3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 83839015
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208
3-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83839024
4-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]butanoic acid
CID 83842467
2-[methyl-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83842954
2-[6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl(methyl)amino]acetic acid
CID 83840029
2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
CID 83839013
2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid
CID 82411726
2-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)acetic acid
CID 83862857
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid (CID 83839006) is 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid is Cc1nc2c(c(N(C)CC(=O)O)n1)COC2.
What is the InChIKey of 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is WDXMGTYSCWGALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-8-5-16-4-7(8)10(12-6)13(2)3-9(14)15/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid?
2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 83839006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).