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

C11H17N3O3 — CID 66332576

IUPAC2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(CC)CC(=O)O)ncn1
InChIInChI=1S/C11H17N3O3/c1-3-5-17-10-6-9(12-8-13-10)14(4-2)7-11(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyUNXFRGGOTXEKCO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.18
Rot. Bonds7

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

2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66332576) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
PubChem CID66332576
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(CC)CC(=O)O)ncn1
InChIInChI=1S/C11H17N3O3/c1-3-5-17-10-6-9(12-8-13-10)14(4-2)7-11(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyUNXFRGGOTXEKCO-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66331762
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
3-[ethyl-(6-propoxypyrimidin-4-yl)amino]butanoic acid
CID 66331970
N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333205
2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoic acid
CID 66333588
N-(2-chloroethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 66333214
N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
CID 66333622
2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
CID 54968848
methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
CID 66331782
2-[(6-propan-2-yloxypyrimidin-4-yl)-prop-2-enylamino]acetic acid
CID 79263368
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
CID 107424754
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (CID 66332576) is 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is CCCOc1cc(N(CC)CC(=O)O)ncn1.
What is the InChIKey of 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is UNXFRGGOTXEKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-17-10-6-9(12-8-13-10)14(4-2)7-11(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66332576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).