(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide

C14H23N3O — CID 121330313

IUPAC(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C
InChIInChI=1S/C14H23N3O/c1-5-8-15-14(18)7-6-9-17-12(3)10-11(2)16-13(17)4/h6,9-10,13H,5,7-8H2,1-4H3,(H,15,18)/b9-6-
InChIKeyHNHFYLFEFSVLAB-TWGQIWQCSA-N
MW249.36 g/mol
LogP2.44
Rot. Bonds5

About (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide

(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide (PubChem CID 121330313) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
PubChem CID121330313
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C
InChIInChI=1S/C14H23N3O/c1-5-8-15-14(18)7-6-9-17-12(3)10-11(2)16-13(17)4/h6,9-10,13H,5,7-8H2,1-4H3,(H,15,18)/b9-6-
InChIKeyHNHFYLFEFSVLAB-TWGQIWQCSA-N
XLogP2.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
N,N'-dipropyldecanediamide
CID 102239298
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
3-bromo-N-propylpropanamide
CID 12680973
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
CID 43399922
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 96569500
2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The IUPAC name of (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide (CID 121330313) is (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide.
What is the SMILES notation for (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The canonical SMILES for (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide is CCCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C.
What is the InChIKey of (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The InChIKey is HNHFYLFEFSVLAB-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-8-15-14(18)7-6-9-17-12(3)10-11(2)16-13(17)4/h6,9-10,13H,5,7-8H2,1-4H3,(H,15,18)/b9-6-.
What are the key properties of (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide is sourced from PubChem (CID 121330313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).