2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid

C9H13N3O3 — CID 126848603

IUPAC2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
SMILESCOCc1cc(NC(C)C(=O)O)ncn1
InChIInChI=1S/C9H13N3O3/c1-6(9(13)14)12-8-3-7(4-15-2)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyGQIBWDDZGZGSRB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.51
Rot. Bonds5

About 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid

2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid (PubChem CID 126848603) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
PubChem CID126848603
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
SMILESCOCc1cc(NC(C)C(=O)O)ncn1
InChIInChI=1S/C9H13N3O3/c1-6(9(13)14)12-8-3-7(4-15-2)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyGQIBWDDZGZGSRB-UHFFFAOYSA-N
XLogP0.51
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
CID 126848139
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
CID 61241478
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
2-[[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 115264329
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
2-[6-(methoxymethyl)pyrimidin-4-yl]sulfanylacetic acid
CID 94077056
2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
CID 84590331
6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 138018974
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid (CID 126848603) is 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid is COCc1cc(NC(C)C(=O)O)ncn1.
What is the InChIKey of 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid?
The InChIKey is GQIBWDDZGZGSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(9(13)14)12-8-3-7(4-15-2)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid?
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 126848603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).