2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid

C10H12N4O2 — CID 76849423

IUPAC2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1ncnc2[nH]ccc12
InChIInChI=1S/C10H12N4O2/c1-2-14(5-8(15)16)10-7-3-4-11-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyOHQCMYPTRLFAEN-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.87
Rot. Bonds4

About 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid

2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 76849423) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID76849423
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1ncnc2[nH]ccc12
InChIInChI=1S/C10H12N4O2/c1-2-14(5-8(15)16)10-7-3-4-11-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyOHQCMYPTRLFAEN-UHFFFAOYSA-N
XLogP0.87
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 155665697
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
(2R)-1-N-ethyl-2-N-(5-imidazol-1-ylpyrazin-2-yl)-2-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 122591727
3-[(3R)-3-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 134537185
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
4-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122059153
2-cyano-N-ethyl-N-[(2R)-2-methyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butyl]acetamide
CID 170367217
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
CID 106536023
1-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine;phosphoric acid
CID 166437336
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 76849423) is 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid is CCN(CC(=O)O)c1ncnc2[nH]ccc12.
What is the InChIKey of 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is OHQCMYPTRLFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-14(5-8(15)16)10-7-3-4-11-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 76849423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).