2-[propyl(pyrimidin-2-yl)amino]acetic acid

C9H13N3O2 — CID 61008662

IUPAC2-[propyl(pyrimidin-2-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1ncccn1
InChIInChI=1S/C9H13N3O2/c1-2-6-12(7-8(13)14)9-10-4-3-5-11-9/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyCFGBMPYLCYXQPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds5

About 2-[propyl(pyrimidin-2-yl)amino]acetic acid

2-[propyl(pyrimidin-2-yl)amino]acetic acid (PubChem CID 61008662) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[propyl(pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(pyrimidin-2-yl)amino]acetic acid
PubChem CID61008662
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[propyl(pyrimidin-2-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1ncccn1
InChIInChI=1S/C9H13N3O2/c1-2-6-12(7-8(13)14)9-10-4-3-5-11-9/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyCFGBMPYLCYXQPQ-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
CID 107424754
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid
CID 122051429
2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
CID 106534820
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
2-[(5-iodoquinazolin-4-yl)-propylamino]acetic acid
CID 122051384
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[propyl(pyrimidin-2-yl)amino]acetic acid (CID 61008662) is 2-[propyl(pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[propyl(pyrimidin-2-yl)amino]acetic acid is CCCN(CC(=O)O)c1ncccn1.
What is the InChIKey of 2-[propyl(pyrimidin-2-yl)amino]acetic acid?
The InChIKey is CFGBMPYLCYXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-6-12(7-8(13)14)9-10-4-3-5-11-9/h3-5H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[propyl(pyrimidin-2-yl)amino]acetic acid?
2-[propyl(pyrimidin-2-yl)amino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 61008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).