2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid

C10H15N3O3 — CID 83839633

IUPAC2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid
SMILESCOc1c(C)nc(C)nc1NC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(16-4)9(13-7(3)11-5)12-6(2)10(14)15/h6H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeySVYCBISNKGNCOY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.99
Rot. Bonds4

About 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid

2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 83839633) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid
PubChem CID83839633
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid
SMILESCOc1c(C)nc(C)nc1NC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(16-4)9(13-7(3)11-5)12-6(2)10(14)15/h6H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeySVYCBISNKGNCOY-UHFFFAOYSA-N
XLogP0.99
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134568906
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CID 144454503
CID 144454503
CID 156028593
CID 156028593
CID 163974826
CID 163974826
CID 12289251
CID 12289251
CID 12289252
CID 12289252
CID 12289255
CID 12289255
CID 12289256
CID 12289256
CID 81724000
CID 81724000
CID 81724087
CID 81724087

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid (CID 83839633) is 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid is COc1c(C)nc(C)nc1NC(C)C(=O)O.
What is the InChIKey of 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is SVYCBISNKGNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-8(16-4)9(13-7(3)11-5)12-6(2)10(14)15/h6H,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid?
2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2,6-dimethylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 83839633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).