6-ethoxy-N-propylpyrimidine-4-carboxamide

C10H15N3O2 — CID 121167565

IUPAC6-ethoxy-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(OCC)ncn1
InChIInChI=1S/C10H15N3O2/c1-3-5-11-10(14)8-6-9(15-4-2)13-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyXDFXNXKCDSOSNI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds5

About 6-ethoxy-N-propylpyrimidine-4-carboxamide

6-ethoxy-N-propylpyrimidine-4-carboxamide (PubChem CID 121167565) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-ethoxy-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-propylpyrimidine-4-carboxamide
PubChem CID121167565
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-ethoxy-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(OCC)ncn1
InChIInChI=1S/C10H15N3O2/c1-3-5-11-10(14)8-6-9(15-4-2)13-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyXDFXNXKCDSOSNI-UHFFFAOYSA-N
XLogP1.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-propylpyrimidine-4-carboxamide (CID 121167565) is 6-ethoxy-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(OCC)ncn1.
What is the InChIKey of 6-ethoxy-N-propylpyrimidine-4-carboxamide?
The InChIKey is XDFXNXKCDSOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-5-11-10(14)8-6-9(15-4-2)13-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 6-ethoxy-N-propylpyrimidine-4-carboxamide?
6-ethoxy-N-propylpyrimidine-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 121167565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).