1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide

C13H21N5O — CID 80756566

IUPAC1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCNc1ncc(C)c(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H21N5O/c1-3-15-13-16-7-9(2)12(17-13)18-6-4-5-10(8-18)11(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyUBRAFWGPOXWPIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds4

About 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide

1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 80756566) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID80756566
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCNc1ncc(C)c(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H21N5O/c1-3-15-13-16-7-9(2)12(17-13)18-6-4-5-10(8-18)11(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyUBRAFWGPOXWPIC-UHFFFAOYSA-N
XLogP0.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide (CID 80756566) is 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide is CCNc1ncc(C)c(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UBRAFWGPOXWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-15-13-16-7-9(2)12(17-13)18-6-4-5-10(8-18)11(14)19/h7,10H,3-6,8H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide?
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 80756566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).