N-methoxypyrimidine-2-carboxamide

C6H7N3O2 — CID 115635317

IUPACN-methoxypyrimidine-2-carboxamide
SMILESCONC(=O)c1ncccn1
InChIInChI=1S/C6H7N3O2/c1-11-9-6(10)5-7-3-2-4-8-5/h2-4H,1H3,(H,9,10)
InChIKeyFYSQNGQDTCNUHX-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.23
Rot. Bonds2

About N-methoxypyrimidine-2-carboxamide

N-methoxypyrimidine-2-carboxamide (PubChem CID 115635317) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is N-methoxypyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methoxypyrimidine-2-carboxamide
PubChem CID115635317
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC NameN-methoxypyrimidine-2-carboxamide
SMILESCONC(=O)c1ncccn1
InChIInChI=1S/C6H7N3O2/c1-11-9-6(10)5-7-3-2-4-8-5/h2-4H,1H3,(H,9,10)
InChIKeyFYSQNGQDTCNUHX-UHFFFAOYSA-N
XLogP-0.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
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 N-methoxypyrimidine-2-carboxamide?
The IUPAC name of N-methoxypyrimidine-2-carboxamide (CID 115635317) is N-methoxypyrimidine-2-carboxamide.
What is the SMILES notation for N-methoxypyrimidine-2-carboxamide?
The canonical SMILES for N-methoxypyrimidine-2-carboxamide is CONC(=O)c1ncccn1.
What is the InChIKey of N-methoxypyrimidine-2-carboxamide?
The InChIKey is FYSQNGQDTCNUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-9-6(10)5-7-3-2-4-8-5/h2-4H,1H3,(H,9,10).
What are the key properties of N-methoxypyrimidine-2-carboxamide?
N-methoxypyrimidine-2-carboxamide has a molecular weight of 153.14 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypyrimidine-2-carboxamide is sourced from PubChem (CID 115635317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).