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

C14H23N3O — CID 121330300

IUPAC(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCCCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C14H23N3O/c1-4-5-8-15-14(18)7-6-9-17-11-16-12(2)10-13(17)3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,15,18)/b9-6-
InChIKeyLCZWPXOBNSGWAE-TWGQIWQCSA-N
MW249.36 g/mol
LogP2.44
Rot. Bonds6

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

(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide (PubChem CID 121330300) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
PubChem CID121330300
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
SMILESCCCCNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C14H23N3O/c1-4-5-8-15-14(18)7-6-9-17-11-16-12(2)10-13(17)3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,15,18)/b9-6-
InChIKeyLCZWPXOBNSGWAE-TWGQIWQCSA-N
XLogP2.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The IUPAC name of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide (CID 121330300) is (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide.
What is the SMILES notation for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The canonical SMILES for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide is CCCCNC(=O)C/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
The InChIKey is LCZWPXOBNSGWAE-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-8-15-14(18)7-6-9-17-11-16-12(2)10-13(17)3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,15,18)/b9-6-.
What are the key properties of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide?
(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide is sourced from PubChem (CID 121330300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).