6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide

C12H17N3O2 — CID 178010509

IUPAC6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC/C=C/C(C)C)ncn1
InChIInChI=1S/C12H17N3O2/c1-9(2)5-4-6-13-12(16)10-7-11(17-3)15-8-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16)/b5-4+
InChIKeyOXRLQEKOTODSGW-SNAWJCMRSA-N
MW235.29 g/mol
LogP1.43
Rot. Bonds5

About 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide

6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide (PubChem CID 178010509) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide
PubChem CID178010509
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC/C=C/C(C)C)ncn1
InChIInChI=1S/C12H17N3O2/c1-9(2)5-4-6-13-12(16)10-7-11(17-3)15-8-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16)/b5-4+
InChIKeyOXRLQEKOTODSGW-SNAWJCMRSA-N
XLogP1.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide (CID 178010509) is 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NC/C=C/C(C)C)ncn1.
What is the InChIKey of 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide?
The InChIKey is OXRLQEKOTODSGW-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)5-4-6-13-12(16)10-7-11(17-3)15-8-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16)/b5-4+.
What are the key properties of 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide?
6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-4-methylpent-2-enyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 178010509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).