N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide

C18H31N3O2 — CID 167249589

IUPACN-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide
SMILESCCCC(C)c1c(C(C)C)nc(NC(=O)C(C)C)n(CC)c1=O
InChIInChI=1S/C18H31N3O2/c1-8-10-13(7)14-15(11(3)4)19-18(20-16(22)12(5)6)21(9-2)17(14)23/h11-13H,8-10H2,1-7H3,(H,19,20,22)
InChIKeyFKMYBCUTWWVLBZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.88
Rot. Bonds7

About N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide

N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide (PubChem CID 167249589) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide
PubChem CID167249589
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide
SMILESCCCC(C)c1c(C(C)C)nc(NC(=O)C(C)C)n(CC)c1=O
InChIInChI=1S/C18H31N3O2/c1-8-10-13(7)14-15(11(3)4)19-18(20-16(22)12(5)6)21(9-2)17(14)23/h11-13H,8-10H2,1-7H3,(H,19,20,22)
InChIKeyFKMYBCUTWWVLBZ-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide (CID 167249589) is N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide is CCCC(C)c1c(C(C)C)nc(NC(=O)C(C)C)n(CC)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is FKMYBCUTWWVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-8-10-13(7)14-15(11(3)4)19-18(20-16(22)12(5)6)21(9-2)17(14)23/h11-13H,8-10H2,1-7H3,(H,19,20,22).
What are the key properties of N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide?
N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 321.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-5-pentan-2-yl-4-propan-2-ylpyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 167249589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).