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

C9H13N5O5 — CID 57371880

IUPAC[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid
SMILESCCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17)
InChIKeyCUKWVGFGIYCDRE-UHFFFAOYSA-N
MW271.23 g/mol
LogP-1.00
Rot. Bonds4

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

[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid (PubChem CID 57371880) has the molecular formula C9H13N5O5 and a molecular weight of 271.23 g/mol. Its IUPAC name is [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid
PubChem CID57371880
Molecular FormulaC9H13N5O5
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid
SMILESCCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17)
InChIKeyCUKWVGFGIYCDRE-UHFFFAOYSA-N
XLogP-1.00
TPSA161.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid?
The IUPAC name of [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid (CID 57371880) is [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid.
What is the SMILES notation for [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid?
The canonical SMILES for [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid is CCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)O.
What is the InChIKey of [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid?
The InChIKey is CUKWVGFGIYCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17).
What are the key properties of [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid?
[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid has a molecular weight of 271.23 g/mol, XLogP of -1.00, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid is sourced from PubChem (CID 57371880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).