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

C13H21N3O — CID 121330197

IUPAC(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C
InChIInChI=1S/C13H21N3O/c1-5-14-13(17)7-6-8-16-11(3)9-10(2)15-12(16)4/h6,8-9,12H,5,7H2,1-4H3,(H,14,17)/b8-6-
InChIKeyMVGSONRILVYWHC-VURMDHGXSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds4

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

(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide (PubChem CID 121330197) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
PubChem CID121330197
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C
InChIInChI=1S/C13H21N3O/c1-5-14-13(17)7-6-8-16-11(3)9-10(2)15-12(16)4/h6,8-9,12H,5,7H2,1-4H3,(H,14,17)/b8-6-
InChIKeyMVGSONRILVYWHC-VURMDHGXSA-N
XLogP2.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 70657681
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121329487
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
CID 121329879
(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
CID 121329897
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
CID 121330083
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide
CID 121330092
(Z)-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330177
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(Z)-hex-2-en-5-ynyl]but-3-enamide
CID 121330178
(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
CID 121330183
(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide
CID 121330191
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The IUPAC name of (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide (CID 121330197) is (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide.
What is the SMILES notation for (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The canonical SMILES for (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide is CCNC(=O)C/C=C\N1C(C)=CC(C)=NC1C.
What is the InChIKey of (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The InChIKey is MVGSONRILVYWHC-VURMDHGXSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-14-13(17)7-6-8-16-11(3)9-10(2)15-12(16)4/h6,8-9,12H,5,7H2,1-4H3,(H,14,17)/b8-6-.
What are the key properties of (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide?
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide has a molecular weight of 235.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide is sourced from PubChem (CID 121330197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).