2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid

C9H12N4O3 — CID 136958525

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
SMILESNc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-7-8(11-4-12-9(7)16)13(3-6(14)15)5-1-2-5/h4-5H,1-3,10H2,(H,14,15)(H,11,12,16)
InChIKeyIHFBYDKGYQRBRM-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.59
Rot. Bonds4

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid (PubChem CID 136958525) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
PubChem CID136958525
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
SMILESNc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-7-8(11-4-12-9(7)16)13(3-6(14)15)5-1-2-5/h4-5H,1-3,10H2,(H,14,15)(H,11,12,16)
InChIKeyIHFBYDKGYQRBRM-UHFFFAOYSA-N
XLogP-0.59
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
2-(6-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136441219
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333
2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958419
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958443
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 136958476
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
CID 136958490

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid (CID 136958525) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid is Nc1c(N(CC(=O)O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid?
The InChIKey is IHFBYDKGYQRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-7-8(11-4-12-9(7)16)13(3-6(14)15)5-1-2-5/h4-5H,1-3,10H2,(H,14,15)(H,11,12,16).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 136958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).