2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide

C15H23N3O3 — CID 71905699

IUPAC2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1C(=O)N=C(CCNC(=O)C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C15H23N3O3/c1-8-11(19)17-9(18-12(8)20)6-7-16-13(21)10-14(2,3)15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,21)(H,17,18,19,20)
InChIKeyQQZAUNVEEDGPSF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.87
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 71905699) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID71905699
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1C(=O)N=C(CCNC(=O)C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C15H23N3O3/c1-8-11(19)17-9(18-12(8)20)6-7-16-13(21)10-14(2,3)15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,21)(H,17,18,19,20)
InChIKeyQQZAUNVEEDGPSF-UHFFFAOYSA-N
XLogP0.87
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide (CID 71905699) is 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide is CC1C(=O)N=C(CCNC(=O)C2C(C)(C)C2(C)C)NC1=O.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QQZAUNVEEDGPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-8-11(19)17-9(18-12(8)20)6-7-16-13(21)10-14(2,3)15(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71905699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).