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

C8H11N3O2 — CID 61236041

IUPAC2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
SMILESCCc1cc(NCC(=O)O)ncn1
InChIInChI=1S/C8H11N3O2/c1-2-6-3-7(11-5-10-6)9-4-8(12)13/h3,5H,2,4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyZOOKMQMTCTXRPQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.54
Rot. Bonds4

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

2-[(6-ethylpyrimidin-4-yl)amino]acetic acid (PubChem CID 61236041) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
PubChem CID61236041
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
SMILESCCc1cc(NCC(=O)O)ncn1
InChIInChI=1S/C8H11N3O2/c1-2-6-3-7(11-5-10-6)9-4-8(12)13/h3,5H,2,4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyZOOKMQMTCTXRPQ-UHFFFAOYSA-N
XLogP0.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410782
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetamide
CID 126848383
N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid (CID 61236041) is 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid is CCc1cc(NCC(=O)O)ncn1.
What is the InChIKey of 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is ZOOKMQMTCTXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-6-3-7(11-5-10-6)9-4-8(12)13/h3,5H,2,4H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid?
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 61236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).