1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide

C13H19ClN4O — CID 79238224

IUPAC1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1nc(Cl)c(C)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-3-10-16-11(14)8(2)13(17-10)18-6-4-9(5-7-18)12(15)19/h9H,3-7H2,1-2H3,(H2,15,19)
InChIKeyUYJDETYHCPCBRN-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.70
Rot. Bonds3

About 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide

1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 79238224) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID79238224
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1nc(Cl)c(C)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-3-10-16-11(14)8(2)13(17-10)18-6-4-9(5-7-18)12(15)19/h9H,3-7H2,1-2H3,(H2,15,19)
InChIKeyUYJDETYHCPCBRN-UHFFFAOYSA-N
XLogP1.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide (CID 79238224) is 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide is CCc1nc(Cl)c(C)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is UYJDETYHCPCBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-10-16-11(14)8(2)13(17-10)18-6-4-9(5-7-18)12(15)19/h9H,3-7H2,1-2H3,(H2,15,19).
What are the key properties of 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 79238224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).