N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide

C13H21N3O — CID 130244875

IUPACN-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide
SMILESCCc1cnc(N(C)C(=O)C(C)(C)C)nc1C
InChIInChI=1S/C13H21N3O/c1-7-10-8-14-12(15-9(10)2)16(6)11(17)13(3,4)5/h8H,7H2,1-6H3
InChIKeyRHGQTRYXTFRDPR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds2

About N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide

N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide (PubChem CID 130244875) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide
PubChem CID130244875
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide
SMILESCCc1cnc(N(C)C(=O)C(C)(C)C)nc1C
InChIInChI=1S/C13H21N3O/c1-7-10-8-14-12(15-9(10)2)16(6)11(17)13(3,4)5/h8H,7H2,1-6H3
InChIKeyRHGQTRYXTFRDPR-UHFFFAOYSA-N
XLogP2.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide (CID 130244875) is N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide is CCc1cnc(N(C)C(=O)C(C)(C)C)nc1C.
What is the InChIKey of N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide?
The InChIKey is RHGQTRYXTFRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-7-10-8-14-12(15-9(10)2)16(6)11(17)13(3,4)5/h8H,7H2,1-6H3.
What are the key properties of N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide?
N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 130244875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).