2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid

C13H20N4O2S — CID 120965004

IUPAC2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C13H20N4O2S/c1-2-3-17(9-13(18)19)12-8-11(14-10-15-12)16-4-6-20-7-5-16/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyOAPPVDDMLYFESB-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.33
Rot. Bonds6

About 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid

2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid (PubChem CID 120965004) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid
PubChem CID120965004
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C13H20N4O2S/c1-2-3-17(9-13(18)19)12-8-11(14-10-15-12)16-4-6-20-7-5-16/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyOAPPVDDMLYFESB-UHFFFAOYSA-N
XLogP1.33
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
6-(4-methylpiperidin-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112856414
N-methyl-N-[(2R)-4-methylsulfanylbutan-2-yl]-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 125139034
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
CID 54968848
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid (CID 120965004) is 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid is CCCN(CC(=O)O)c1cc(N2CCSCC2)ncn1.
What is the InChIKey of 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is OAPPVDDMLYFESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-3-17(9-13(18)19)12-8-11(14-10-15-12)16-4-6-20-7-5-16/h8,10H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid?
2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 296.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 120965004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).