2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide

C7H8ClN3O2 — CID 77231350

IUPAC2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-11(13-2)6(12)5-3-4-9-7(8)10-5/h3-4H,1-2H3
InChIKeyKMZGZTSTHLZZET-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.76
Rot. Bonds2

About 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide

2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide (PubChem CID 77231350) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide
PubChem CID77231350
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(Cl)n1
InChIInChI=1S/C7H8ClN3O2/c1-11(13-2)6(12)5-3-4-9-7(8)10-5/h3-4H,1-2H3
InChIKeyKMZGZTSTHLZZET-UHFFFAOYSA-N
XLogP0.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide (CID 77231350) is 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide is CON(C)C(=O)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide?
The InChIKey is KMZGZTSTHLZZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-11(13-2)6(12)5-3-4-9-7(8)10-5/h3-4H,1-2H3.
What are the key properties of 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide?
2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide has a molecular weight of 201.61 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 77231350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).