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

C9H13N3O3 — CID 138504984

IUPACN,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide
SMILESCOc1cnc(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H13N3O3/c1-6-10-5-7(14-3)8(11-6)9(13)12(2)15-4/h5H,1-4H3
InChIKeyMZDVCHAPPQOVLA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.43
Rot. Bonds3

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

N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 138504984) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID138504984
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide
SMILESCOc1cnc(C)nc1C(=O)N(C)OC
InChIInChI=1S/C9H13N3O3/c1-6-10-5-7(14-3)8(11-6)9(13)12(2)15-4/h5H,1-4H3
InChIKeyMZDVCHAPPQOVLA-UHFFFAOYSA-N
XLogP0.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide (CID 138504984) is N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide is COc1cnc(C)nc1C(=O)N(C)OC.
What is the InChIKey of N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is MZDVCHAPPQOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-10-5-7(14-3)8(11-6)9(13)12(2)15-4/h5H,1-4H3.
What are the key properties of N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide?
N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 138504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).