5-methoxy-N,2-dimethylpyrimidine-4-carboxamide

C8H11N3O2 — CID 138517122

IUPAC5-methoxy-N,2-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(C)ncc1OC
InChIInChI=1S/C8H11N3O2/c1-5-10-4-6(13-3)7(11-5)8(12)9-2/h4H,1-3H3,(H,9,12)
InChIKeyGQUVMPBVHASGHI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds2

About 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide

5-methoxy-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 138517122) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID138517122
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-methoxy-N,2-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(C)ncc1OC
InChIInChI=1S/C8H11N3O2/c1-5-10-4-6(13-3)7(11-5)8(12)9-2/h4H,1-3H3,(H,9,12)
InChIKeyGQUVMPBVHASGHI-UHFFFAOYSA-N
XLogP0.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide (CID 138517122) is 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide is CNC(=O)c1nc(C)ncc1OC.
What is the InChIKey of 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is GQUVMPBVHASGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-10-4-6(13-3)7(11-5)8(12)9-2/h4H,1-3H3,(H,9,12).
What are the key properties of 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide?
5-methoxy-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 138517122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).