2,5-dimethoxypyrimidine-4-carboxamide

C7H9N3O3 — CID 91212233

IUPAC2,5-dimethoxypyrimidine-4-carboxamide
SMILESCOc1ncc(OC)c(C(N)=O)n1
InChIInChI=1S/C7H9N3O3/c1-12-4-3-9-7(13-2)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyMSUAPXFHVPPUDP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.41
Rot. Bonds3

About 2,5-dimethoxypyrimidine-4-carboxamide

2,5-dimethoxypyrimidine-4-carboxamide (PubChem CID 91212233) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,5-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethoxypyrimidine-4-carboxamide
PubChem CID91212233
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2,5-dimethoxypyrimidine-4-carboxamide
SMILESCOc1ncc(OC)c(C(N)=O)n1
InChIInChI=1S/C7H9N3O3/c1-12-4-3-9-7(13-2)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyMSUAPXFHVPPUDP-UHFFFAOYSA-N
XLogP-0.41
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of 2,5-dimethoxypyrimidine-4-carboxamide (CID 91212233) is 2,5-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for 2,5-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for 2,5-dimethoxypyrimidine-4-carboxamide is COc1ncc(OC)c(C(N)=O)n1.
What is the InChIKey of 2,5-dimethoxypyrimidine-4-carboxamide?
The InChIKey is MSUAPXFHVPPUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-12-4-3-9-7(13-2)10-5(4)6(8)11/h3H,1-2H3,(H2,8,11).
What are the key properties of 2,5-dimethoxypyrimidine-4-carboxamide?
2,5-dimethoxypyrimidine-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91212233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).