1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

C9H12N4O3 — CID 136959378

IUPAC1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-5-6(11-4-12-7(5)14)13-9(8(15)16)2-1-3-9/h4H,1-3,10H2,(H,15,16)(H2,11,12,13,14)
InChIKeyUOAOMMFJKDDCDI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.23
Rot. Bonds3

About 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 136959378) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID136959378
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-5-6(11-4-12-7(5)14)13-9(8(15)16)2-1-3-9/h4H,1-3,10H2,(H,15,16)(H2,11,12,13,14)
InChIKeyUOAOMMFJKDDCDI-UHFFFAOYSA-N
XLogP-0.23
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958470
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958598
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958605
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958669
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958721
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
CID 136958785
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 136959032
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 136959112
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136959282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (CID 136959378) is 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is Nc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O.
What is the InChIKey of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is UOAOMMFJKDDCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-5-6(11-4-12-7(5)14)13-9(8(15)16)2-1-3-9/h4H,1-3,10H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 136959378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).