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

C10H15N3O — CID 121329487

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCC1=CC(C)=NCN1/C=C\CC(N)=O
InChIInChI=1S/C10H15N3O/c1-8-6-9(2)13(7-12-8)5-3-4-10(11)14/h3,5-6H,4,7H2,1-2H3,(H2,11,14)/b5-3-
InChIKeyFRAQQZXINFDDMP-HYXAFXHYSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds3

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

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide (PubChem CID 121329487) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
PubChem CID121329487
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCC1=CC(C)=NCN1/C=C\CC(N)=O
InChIInChI=1S/C10H15N3O/c1-8-6-9(2)13(7-12-8)5-3-4-10(11)14/h3,5-6H,4,7H2,1-2H3,(H2,11,14)/b5-3-
InChIKeyFRAQQZXINFDDMP-HYXAFXHYSA-N
XLogP1.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.01
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)but-3-enamide?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide (CID 121329487) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide is CC1=CC(C)=NCN1/C=C\CC(N)=O.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The InChIKey is FRAQQZXINFDDMP-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-6-9(2)13(7-12-8)5-3-4-10(11)14/h3,5-6H,4,7H2,1-2H3,(H2,11,14)/b5-3-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.01, 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)but-3-enamide is sourced from PubChem (CID 121329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).