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

C10H13N3O3 — CID 83839013

IUPAC2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2c(n1)CCOC2
InChIInChI=1S/C10H13N3O3/c1-13(5-9(14)15)10-11-4-7-6-16-3-2-8(7)12-10/h4H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyAJGSBFGZVPCGMH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds3

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

2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid (PubChem CID 83839013) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
PubChem CID83839013
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2c(n1)CCOC2
InChIInChI=1S/C10H13N3O3/c1-13(5-9(14)15)10-11-4-7-6-16-3-2-8(7)12-10/h4H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyAJGSBFGZVPCGMH-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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)-2-methylpropanoic acid
CID 105478987
2-[methyl-(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]acetic acid
CID 83839010
2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
CID 83834011
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-[4-[(dimethylamino)methyl]phenyl]methanone
CID 110245604
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
2-[methyl-(3-methyltriazolo[4,5-d]pyrimidin-5-yl)amino]acetic acid
CID 83838618
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide
CID 136569928
1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105465547
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 83833504

Frequently Asked Questions

What is the IUPAC name of 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid (CID 83839013) is 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid is CN(CC(=O)O)c1ncc2c(n1)CCOC2.
What is the InChIKey of 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid?
The InChIKey is AJGSBFGZVPCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13(5-9(14)15)10-11-4-7-6-16-3-2-8(7)12-10/h4H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid?
2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid is sourced from PubChem (CID 83839013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).