(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide

C11H17N3O — CID 121330183

IUPAC(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
SMILESCC1=CC(C)=N[C@@H](C)N1/C=C\CC(N)=O
InChIInChI=1S/C11H17N3O/c1-8-7-9(2)14(10(3)13-8)6-4-5-11(12)15/h4,6-7,10H,5H2,1-3H3,(H2,12,15)/b6-4-/t10-/m1/s1
InChIKeyIVOFNNNFJRYHKY-AYYIZTPMSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds3

About (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide

(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide (PubChem CID 121330183) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide.

Molecular Properties

Compound Name(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
PubChem CID121330183
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
SMILESCC1=CC(C)=N[C@@H](C)N1/C=C\CC(N)=O
InChIInChI=1S/C11H17N3O/c1-8-7-9(2)14(10(3)13-8)6-4-5-11(12)15/h4,6-7,10H,5H2,1-3H3,(H2,12,15)/b6-4-/t10-/m1/s1
InChIKeyIVOFNNNFJRYHKY-AYYIZTPMSA-N
XLogP1.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide?
The IUPAC name of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide (CID 121330183) is (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide.
What is the SMILES notation for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide?
The canonical SMILES for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide is CC1=CC(C)=N[C@@H](C)N1/C=C\CC(N)=O.
What is the InChIKey of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide?
The InChIKey is IVOFNNNFJRYHKY-AYYIZTPMSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-9(2)14(10(3)13-8)6-4-5-11(12)15/h4,6-7,10H,5H2,1-3H3,(H2,12,15)/b6-4-/t10-/m1/s1.
What are the key properties of (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide?
(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide is sourced from PubChem (CID 121330183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).