(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide

C11H17N3O — CID 121329879

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
SMILESCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C11H17N3O/c1-9-7-10(2)14(8-13-9)6-4-5-11(15)12-3/h4,6-7H,5,8H2,1-3H3,(H,12,15)/b6-4-
InChIKeyOCXDYJLDLVJSTA-XQRVVYSFSA-N
MW207.28 g/mol
LogP1.27
Rot. Bonds3

About (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide (PubChem CID 121329879) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
PubChem CID121329879
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
SMILESCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C11H17N3O/c1-9-7-10(2)14(8-13-9)6-4-5-11(15)12-3/h4,6-7H,5,8H2,1-3H3,(H,12,15)/b6-4-
InChIKeyOCXDYJLDLVJSTA-XQRVVYSFSA-N
XLogP1.27
TPSA44.70 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide (CID 121329879) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide is CNC(=O)C/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide?
The InChIKey is OCXDYJLDLVJSTA-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-10(2)14(8-13-9)6-4-5-11(15)12-3/h4,6-7H,5,8H2,1-3H3,(H,12,15)/b6-4-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide is sourced from PubChem (CID 121329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).