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

C15H23N3O2 — CID 121121016

IUPAC2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cncn(CCNC(=O)CC2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-12-10-16-11-18(15(12)20)8-7-17-14(19)9-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,19)
InChIKeyMRYMSIVLGYRVSP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds5

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

2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121016) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121016
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cncn(CCNC(=O)CC2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-12-10-16-11-18(15(12)20)8-7-17-14(19)9-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,19)
InChIKeyMRYMSIVLGYRVSP-UHFFFAOYSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121016) is 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1cncn(CCNC(=O)CC2CCCCC2)c1=O.
What is the InChIKey of 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is MRYMSIVLGYRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-10-16-11-18(15(12)20)8-7-17-14(19)9-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,19).
What are the key properties of 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).