6-ethyl-N-methylpyrimidine-4-carboxamide

C8H11N3O — CID 148883482

IUPAC6-ethyl-N-methylpyrimidine-4-carboxamide
SMILESCCc1cc(C(=O)NC)ncn1
InChIInChI=1S/C8H11N3O/c1-3-6-4-7(8(12)9-2)11-5-10-6/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyPDNKXLXEFIYZRC-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.40
Rot. Bonds2

About 6-ethyl-N-methylpyrimidine-4-carboxamide

6-ethyl-N-methylpyrimidine-4-carboxamide (PubChem CID 148883482) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-ethyl-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-methylpyrimidine-4-carboxamide
PubChem CID148883482
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-ethyl-N-methylpyrimidine-4-carboxamide
SMILESCCc1cc(C(=O)NC)ncn1
InChIInChI=1S/C8H11N3O/c1-3-6-4-7(8(12)9-2)11-5-10-6/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyPDNKXLXEFIYZRC-UHFFFAOYSA-N
XLogP0.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-ethyl-N-methylpyrimidine-4-carboxamide (CID 148883482) is 6-ethyl-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethyl-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-ethyl-N-methylpyrimidine-4-carboxamide is CCc1cc(C(=O)NC)ncn1.
What is the InChIKey of 6-ethyl-N-methylpyrimidine-4-carboxamide?
The InChIKey is PDNKXLXEFIYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-6-4-7(8(12)9-2)11-5-10-6/h4-5H,3H2,1-2H3,(H,9,12).
What are the key properties of 6-ethyl-N-methylpyrimidine-4-carboxamide?
6-ethyl-N-methylpyrimidine-4-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 148883482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).