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

C12H19N3O — CID 121330327

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
SMILESCCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C12H19N3O/c1-4-13-12(16)6-5-7-15-9-14-10(2)8-11(15)3/h5,7-8H,4,6,9H2,1-3H3,(H,13,16)/b7-5-
InChIKeyPHKMWDDHTKACFE-ALCCZGGFSA-N
MW221.30 g/mol
LogP1.66
Rot. Bonds4

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

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide (PubChem CID 121330327) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
PubChem CID121330327
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
SMILESCCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C12H19N3O/c1-4-13-12(16)6-5-7-15-9-14-10(2)8-11(15)3/h5,7-8H,4,6,9H2,1-3H3,(H,13,16)/b7-5-
InChIKeyPHKMWDDHTKACFE-ALCCZGGFSA-N
XLogP1.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.66
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-ethylbut-3-enamide?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide (CID 121330327) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide is CCNC(=O)C/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide?
The InChIKey is PHKMWDDHTKACFE-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-13-12(16)6-5-7-15-9-14-10(2)8-11(15)3/h5,7-8H,4,6,9H2,1-3H3,(H,13,16)/b7-5-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide has a molecular weight of 221.30 g/mol, XLogP of 1.66, 4 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-ethylbut-3-enamide is sourced from PubChem (CID 121330327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).