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

C14H21N3O2 — CID 121121227

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-11-9-15-10-17(14(11)19)8-7-16-13(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,16,18)
InChIKeyAWYKCNQFXAMPLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds4

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

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 121121227) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID121121227
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCc1cncn(CCNC(=O)C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-11-9-15-10-17(14(11)19)8-7-16-13(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,16,18)
InChIKeyAWYKCNQFXAMPLB-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
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]cyclohexanecarboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (CID 121121227) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide is Cc1cncn(CCNC(=O)C2CCCCC2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is AWYKCNQFXAMPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-9-15-10-17(14(11)19)8-7-16-13(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.25, 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]cyclohexanecarboxamide is sourced from PubChem (CID 121121227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).