N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

C12H17N3O2 — CID 121121261

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-9-7-13-8-15(12(9)17)6-5-14-11(16)10-3-2-4-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyOKBDXXDUEXYMKK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.47
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (PubChem CID 121121261) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
PubChem CID121121261
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-9-7-13-8-15(12(9)17)6-5-14-11(16)10-3-2-4-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyOKBDXXDUEXYMKK-UHFFFAOYSA-N
XLogP0.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide (CID 121121261) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is Cc1cncn(CCNC(=O)C2CCC2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is OKBDXXDUEXYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-13-8-15(12(9)17)6-5-14-11(16)10-3-2-4-10/h7-8,10H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 121121261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).