1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide

C14H19N3O2 — CID 143596641

IUPAC1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESC/C=C(\C=C/CC)Cn1cncc(C(=O)NC)c1=O
InChIInChI=1S/C14H19N3O2/c1-4-6-7-11(5-2)9-17-10-16-8-12(14(17)19)13(18)15-3/h5-8,10H,4,9H2,1-3H3,(H,15,18)/b7-6-,11-5+
InChIKeyFVKPFMUIRTVOJS-TUKAJDRUSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds5

About 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide

1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 143596641) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID143596641
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESC/C=C(\C=C/CC)Cn1cncc(C(=O)NC)c1=O
InChIInChI=1S/C14H19N3O2/c1-4-6-7-11(5-2)9-17-10-16-8-12(14(17)19)13(18)15-3/h5-8,10H,4,9H2,1-3H3,(H,15,18)/b7-6-,11-5+
InChIKeyFVKPFMUIRTVOJS-TUKAJDRUSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide (CID 143596641) is 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide is C/C=C(\C=C/CC)Cn1cncc(C(=O)NC)c1=O.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is FVKPFMUIRTVOJS-TUKAJDRUSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-6-7-11(5-2)9-17-10-16-8-12(14(17)19)13(18)15-3/h5-8,10H,4,9H2,1-3H3,(H,15,18)/b7-6-,11-5+.
What are the key properties of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide?
1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 143596641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).