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

C13H22N4O3 — CID 107424754

IUPAC2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
SMILESCCCOc1ccnc(N(CCN(C)C)CC(=O)O)n1
InChIInChI=1S/C13H22N4O3/c1-4-9-20-11-5-6-14-13(15-11)17(10-12(18)19)8-7-16(2)3/h5-6H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyJYWNVNZEQZVTCO-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.72
Rot. Bonds9

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

2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid (PubChem CID 107424754) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
PubChem CID107424754
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
SMILESCCCOc1ccnc(N(CCN(C)C)CC(=O)O)n1
InChIInChI=1S/C13H22N4O3/c1-4-9-20-11-5-6-14-13(15-11)17(10-12(18)19)8-7-16(2)3/h5-6H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyJYWNVNZEQZVTCO-UHFFFAOYSA-N
XLogP0.72
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
N-(2-bromoethyl)-N-butyl-4-propoxypyrimidin-2-amine
CID 112639369
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
2-[(4-methoxypyrimidin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274156
2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66332576
4-propoxypyrimidin-2-amine
CID 79002172
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid (CID 107424754) is 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid is CCCOc1ccnc(N(CCN(C)C)CC(=O)O)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid?
The InChIKey is JYWNVNZEQZVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-9-20-11-5-6-14-13(15-11)17(10-12(18)19)8-7-16(2)3/h5-6H,4,7-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 107424754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).