N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide

C11H9ClN4O3 — CID 16740155

IUPACN-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
SMILESO=CNc1c(Nc2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-6-1-3-7(4-2-6)14-9-8(13-5-17)10(18)16-11(19)15-9/h1-5H,(H,13,17)(H3,14,15,16,18,19)
InChIKeyFCQBZWJMBXZBST-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.03
Rot. Bonds4

About N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide

N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide (PubChem CID 16740155) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
PubChem CID16740155
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC NameN-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
SMILESO=CNc1c(Nc2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-6-1-3-7(4-2-6)14-9-8(13-5-17)10(18)16-11(19)15-9/h1-5H,(H,13,17)(H3,14,15,16,18,19)
InChIKeyFCQBZWJMBXZBST-UHFFFAOYSA-N
XLogP1.03
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide (CID 16740155) is N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide is O=CNc1c(Nc2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is FCQBZWJMBXZBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-6-1-3-7(4-2-6)14-9-8(13-5-17)10(18)16-11(19)15-9/h1-5H,(H,13,17)(H3,14,15,16,18,19).
What are the key properties of N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 280.67 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 16740155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).