2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide

C15H19ClN4O2 — CID 130182648

IUPAC2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide
SMILESCCCCCc1nc(Cl)cc(=O)n1CC(=O)NC1(C#N)CC1
InChIInChI=1S/C15H19ClN4O2/c1-2-3-4-5-12-18-11(16)8-14(22)20(12)9-13(21)19-15(10-17)6-7-15/h8H,2-7,9H2,1H3,(H,19,21)
InChIKeyZAYIWAKFBLYGOG-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.80
Rot. Bonds7

About 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide

2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide (PubChem CID 130182648) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide
PubChem CID130182648
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide
SMILESCCCCCc1nc(Cl)cc(=O)n1CC(=O)NC1(C#N)CC1
InChIInChI=1S/C15H19ClN4O2/c1-2-3-4-5-12-18-11(16)8-14(22)20(12)9-13(21)19-15(10-17)6-7-15/h8H,2-7,9H2,1H3,(H,19,21)
InChIKeyZAYIWAKFBLYGOG-UHFFFAOYSA-N
XLogP1.80
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide (CID 130182648) is 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide is CCCCCc1nc(Cl)cc(=O)n1CC(=O)NC1(C#N)CC1.
What is the InChIKey of 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide?
The InChIKey is ZAYIWAKFBLYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-2-3-4-5-12-18-11(16)8-14(22)20(12)9-13(21)19-15(10-17)6-7-15/h8H,2-7,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide?
2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide has a molecular weight of 322.80 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide is sourced from PubChem (CID 130182648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).