N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide

C10H13N3O2 — CID 178010075

IUPACN-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide
SMILESC/C=C/CNC(=O)c1cc(OC)ncn1
InChIInChI=1S/C10H13N3O2/c1-3-4-5-11-10(14)8-6-9(15-2)13-7-12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)/b4-3+
InChIKeyNVUNZKLNUJQXOW-ONEGZZNKSA-N
MW207.23 g/mol
LogP0.79
Rot. Bonds4

About N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide

N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 178010075) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide
PubChem CID178010075
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide
SMILESC/C=C/CNC(=O)c1cc(OC)ncn1
InChIInChI=1S/C10H13N3O2/c1-3-4-5-11-10(14)8-6-9(15-2)13-7-12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)/b4-3+
InChIKeyNVUNZKLNUJQXOW-ONEGZZNKSA-N
XLogP0.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide (CID 178010075) is N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide is C/C=C/CNC(=O)c1cc(OC)ncn1.
What is the InChIKey of N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is NVUNZKLNUJQXOW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-5-11-10(14)8-6-9(15-2)13-7-12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide?
N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 178010075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).