2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane

C13H21N3O — CID 176677021

IUPAC2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane
SMILESCC.CCc1cc(C(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C11H15N3O.C2H6/c1-3-8-6-9(11(15)12-2)14-10(13-8)7-4-5-7;1-2/h6-7H,3-5H2,1-2H3,(H,12,15);1-2H3
InChIKeyRIGCJEFSVAKTAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane

2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane (PubChem CID 176677021) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane.

Molecular Properties

Compound Name2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane
PubChem CID176677021
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane
SMILESCC.CCc1cc(C(=O)NC)nc(C2CC2)n1
InChIInChI=1S/C11H15N3O.C2H6/c1-3-8-6-9(11(15)12-2)14-10(13-8)7-4-5-7;1-2/h6-7H,3-5H2,1-2H3,(H,12,15);1-2H3
InChIKeyRIGCJEFSVAKTAD-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane?
The IUPAC name of 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane (CID 176677021) is 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane.
What is the SMILES notation for 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane?
The canonical SMILES for 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane is CC.CCc1cc(C(=O)NC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane?
The InChIKey is RIGCJEFSVAKTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C2H6/c1-3-8-6-9(11(15)12-2)14-10(13-8)7-4-5-7;1-2/h6-7H,3-5H2,1-2H3,(H,12,15);1-2H3.
What are the key properties of 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane?
2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane has a molecular weight of 235.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethyl-N-methylpyrimidine-4-carboxamide;ethane is sourced from PubChem (CID 176677021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).