3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid

C9H13N3O2 — CID 3159839

IUPAC3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
SMILESCc1nc(N)nc(C)c1CCC(=O)O
InChIInChI=1S/C9H13N3O2/c1-5-7(3-4-8(13)14)6(2)12-9(10)11-5/h3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyPKIJNCTUEICAOQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.69
Rot. Bonds3

About 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid

3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid (PubChem CID 3159839) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
PubChem CID3159839
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
SMILESCc1nc(N)nc(C)c1CCC(=O)O
InChIInChI=1S/C9H13N3O2/c1-5-7(3-4-8(13)14)6(2)12-9(10)11-5/h3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyPKIJNCTUEICAOQ-UHFFFAOYSA-N
XLogP0.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-(methylsulfanyl)pyrimidin-5-yl)propanoic acid
CID 4962669
3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 4962635
Methyl 3-(4-chloro-2,6-dimethyl-5-pyrimidinyl)propanoate
CID 53193868
3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid
CID 4962890
3-[2-(Difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanoate
CID 7129642
3-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 61392787
3-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293380
2-[4,6-Diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79218266
3-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 79964152
3-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 79964495
3-[4,6-Dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propanoic acid
CID 103150070
3-[2-[2-(2,2-Difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 103150071

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid (CID 3159839) is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid is Cc1nc(N)nc(C)c1CCC(=O)O.
What is the InChIKey of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid?
The InChIKey is PKIJNCTUEICAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7(3-4-8(13)14)6(2)12-9(10)11-5/h3-4H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid?
3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 3159839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).