5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide

C9H12ClN3O3 — CID 69317321

IUPAC5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide
SMILESNC(=O)CCCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16)
InChIKeyNXVKSRVXYNGKFW-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.15
Rot. Bonds5

About 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide

5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide (PubChem CID 69317321) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide
PubChem CID69317321
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide
SMILESNC(=O)CCCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16)
InChIKeyNXVKSRVXYNGKFW-UHFFFAOYSA-N
XLogP-0.15
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide?
The IUPAC name of 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide (CID 69317321) is 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide.
What is the SMILES notation for 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide?
The canonical SMILES for 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide is NC(=O)CCCCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide?
The InChIKey is NXVKSRVXYNGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c10-6-5-13(9(16)12-8(6)15)4-2-1-3-7(11)14/h5H,1-4H2,(H2,11,14)(H,12,15,16).
What are the key properties of 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide?
5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide has a molecular weight of 245.67 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dioxopyrimidin-1-yl)pentanamide is sourced from PubChem (CID 69317321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).