2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid

C10H15N3O3 — CID 66333585

IUPAC2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-4-16-9-5-8(11-7-12-9)13(2)6-10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXKZFBUDFBPYRPX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds6

About 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid

2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66333585) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
PubChem CID66333585
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-4-16-9-5-8(11-7-12-9)13(2)6-10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXKZFBUDFBPYRPX-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66332576
2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoic acid
CID 66333588
2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66331762
methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
CID 66331782
3-[ethyl-(6-propoxypyrimidin-4-yl)amino]butanoic acid
CID 66331970
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848396
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333205
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
N-(2-chloroethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 66333214

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (CID 66333585) is 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is CCCOc1cc(N(C)CC(=O)O)ncn1.
What is the InChIKey of 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is XKZFBUDFBPYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-16-9-5-8(11-7-12-9)13(2)6-10(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66333585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).