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

C10H14N4O3 — CID 136959056

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(NC2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-3-1-2-5(6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyUUEPLLJNXAXVIL-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds3

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136959056) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136959056
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(NC2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-3-1-2-5(6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyUUEPLLJNXAXVIL-UHFFFAOYSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876809
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958356
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958605
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 136958638
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 136958979
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-ethylhexanoic acid
CID 136958985
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]heptanoic acid
CID 136958990
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
CID 136958995
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 136958999
2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 136959037

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136959056) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Nc1c(NC2CCCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UUEPLLJNXAXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-3-1-2-5(6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.02, 3 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136959056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).