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

C9H12N4O3 — CID 136958785

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
SMILESNc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-5-7(11-3-12-8(5)14)13-6(9(15)16)4-1-2-4/h3-4,6H,1-2,10H2,(H,15,16)(H2,11,12,13,14)
InChIKeyJNUSQEKRVNAZKN-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.37
Rot. Bonds4

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid (PubChem CID 136958785) 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)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
PubChem CID136958785
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
SMILESNc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-5-7(11-3-12-8(5)14)13-6(9(15)16)4-1-2-4/h3-4,6H,1-2,10H2,(H,15,16)(H2,11,12,13,14)
InChIKeyJNUSQEKRVNAZKN-UHFFFAOYSA-N
XLogP-0.37
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid with MolForge

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Related Compounds

2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 136274358
(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 135860688
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958438
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958470
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958669
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958676
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958681
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958786
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958942

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid (CID 136958785) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid is Nc1c(NC(C(=O)O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid?
The InChIKey is JNUSQEKRVNAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-5-7(11-3-12-8(5)14)13-6(9(15)16)4-1-2-4/h3-4,6H,1-2,10H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 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)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 136958785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).