6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide

C9H11N3O2 — CID 178010571

IUPAC6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(OC)ncn1
InChIInChI=1S/C9H11N3O2/c1-3-4-10-9(13)7-5-8(14-2)12-6-11-7/h3,5-6H,1,4H2,2H3,(H,10,13)
InChIKeySPGCUMAXPXLILR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.40
Rot. Bonds4

About 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide

6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 178010571) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID178010571
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(OC)ncn1
InChIInChI=1S/C9H11N3O2/c1-3-4-10-9(13)7-5-8(14-2)12-6-11-7/h3,5-6H,1,4H2,2H3,(H,10,13)
InChIKeySPGCUMAXPXLILR-UHFFFAOYSA-N
XLogP0.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.40
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 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide (CID 178010571) is 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(OC)ncn1.
What is the InChIKey of 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is SPGCUMAXPXLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-4-10-9(13)7-5-8(14-2)12-6-11-7/h3,5-6H,1,4H2,2H3,(H,10,13).
What are the key properties of 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide?
6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 178010571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).