2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid

C9H11N3O3 — CID 105462637

IUPAC2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
SMILESNc1nc(CC(=O)O)nc2c1COCC2
InChIInChI=1S/C9H11N3O3/c10-9-5-4-15-2-1-6(5)11-7(12-9)3-8(13)14/h1-4H2,(H,13,14)(H2,10,11,12)
InChIKeyWIGZVVRKMANFTM-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.24
Rot. Bonds2

About 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid

2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid (PubChem CID 105462637) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
PubChem CID105462637
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
SMILESNc1nc(CC(=O)O)nc2c1COCC2
InChIInChI=1S/C9H11N3O3/c10-9-5-4-15-2-1-6(5)11-7(12-9)3-8(13)14/h1-4H2,(H,13,14)(H2,10,11,12)
InChIKeyWIGZVVRKMANFTM-UHFFFAOYSA-N
XLogP-0.24
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid with MolForge

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Related Compounds

2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831
2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105461902
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
CID 105460225
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
2-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)acetic acid
CID 83862857
2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472079

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid (CID 105462637) is 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid is Nc1nc(CC(=O)O)nc2c1COCC2.
What is the InChIKey of 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid?
The InChIKey is WIGZVVRKMANFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-9-5-4-15-2-1-6(5)11-7(12-9)3-8(13)14/h1-4H2,(H,13,14)(H2,10,11,12).
What are the key properties of 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid?
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid has a molecular weight of 209.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 105462637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).