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

C8H10N4O3 — CID 136959112

IUPAC1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c9-4-5(10-3-11-6(4)13)12-8(1-2-8)7(14)15/h3H,1-2,9H2,(H,14,15)(H2,10,11,12,13)
InChIKeySQVUOBBTRQFVGY-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.62
Rot. Bonds3

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

1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 136959112) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID136959112
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c9-4-5(10-3-11-6(4)13)12-8(1-2-8)7(14)15/h3H,1-2,9H2,(H,14,15)(H2,10,11,12,13)
InChIKeySQVUOBBTRQFVGY-UHFFFAOYSA-N
XLogP-0.62
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959289
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958376
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
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)-(cyclopropylmethyl)amino]acetic acid
CID 136958476
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
CID 136958525
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958598
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958669
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958704
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylacetic acid
CID 136958785
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958798

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid (CID 136959112) is 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid is Nc1c(NC2(C(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is SQVUOBBTRQFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-4-5(10-3-11-6(4)13)12-8(1-2-8)7(14)15/h3H,1-2,9H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.62, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 136959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).