N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H7N5O4 — CID 136666421

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H7N5O4/c15-6-1-4(11-3-12-6)7(16)13-5-2-10-9(18)14-8(5)17/h1-3H,(H,13,16)(H,11,12,15)(H2,10,14,17,18)
InChIKeyKSNDHADKEQPATP-UHFFFAOYSA-N
MW249.19 g/mol
LogP-1.60
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666421) has the molecular formula C9H7N5O4 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666421
Molecular FormulaC9H7N5O4
Molecular Weight249.19 g/mol
Exact Mass249.05
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H7N5O4/c15-6-1-4(11-3-12-6)7(16)13-5-2-10-9(18)14-8(5)17/h1-3H,(H,13,16)(H,11,12,15)(H2,10,14,17,18)
InChIKeyKSNDHADKEQPATP-UHFFFAOYSA-N
XLogP-1.60
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666421) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is KSNDHADKEQPATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O4/c15-6-1-4(11-3-12-6)7(16)13-5-2-10-9(18)14-8(5)17/h1-3H,(H,13,16)(H,11,12,15)(H2,10,14,17,18).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 249.19 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).