2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid

C9H13N3O3 — CID 169040483

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCCCc1cc(=O)[nH]c(NCC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-2-3-6-4-7(13)12-9(11-6)10-5-8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyNDFCJJJLPSGLQT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.22
Rot. Bonds5

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid (PubChem CID 169040483) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
PubChem CID169040483
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCCCc1cc(=O)[nH]c(NCC(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-2-3-6-4-7(13)12-9(11-6)10-5-8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyNDFCJJJLPSGLQT-UHFFFAOYSA-N
XLogP0.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid (CID 169040483) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid is CCCc1cc(=O)[nH]c(NCC(=O)O)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid?
The InChIKey is NDFCJJJLPSGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-6-4-7(13)12-9(11-6)10-5-8(14)15/h4H,2-3,5H2,1H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 169040483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).