pyrimidine-2,4-dicarboxamide

C6H6N4O2 — CID 68833476

IUPACpyrimidine-2,4-dicarboxamide
SMILESNC(=O)c1ccnc(C(N)=O)n1
InChIInChI=1S/C6H6N4O2/c7-4(11)3-1-2-9-6(10-3)5(8)12/h1-2H,(H2,7,11)(H2,8,12)
InChIKeyCYCHPJBNLPTBMG-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.33
Rot. Bonds2

About pyrimidine-2,4-dicarboxamide

pyrimidine-2,4-dicarboxamide (PubChem CID 68833476) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is pyrimidine-2,4-dicarboxamide.

Molecular Properties

Compound Namepyrimidine-2,4-dicarboxamide
PubChem CID68833476
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Namepyrimidine-2,4-dicarboxamide
SMILESNC(=O)c1ccnc(C(N)=O)n1
InChIInChI=1S/C6H6N4O2/c7-4(11)3-1-2-9-6(10-3)5(8)12/h1-2H,(H2,7,11)(H2,8,12)
InChIKeyCYCHPJBNLPTBMG-UHFFFAOYSA-N
XLogP-1.33
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2,4-dicarboxamide?
The IUPAC name of pyrimidine-2,4-dicarboxamide (CID 68833476) is pyrimidine-2,4-dicarboxamide.
What is the SMILES notation for pyrimidine-2,4-dicarboxamide?
The canonical SMILES for pyrimidine-2,4-dicarboxamide is NC(=O)c1ccnc(C(N)=O)n1.
What is the InChIKey of pyrimidine-2,4-dicarboxamide?
The InChIKey is CYCHPJBNLPTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c7-4(11)3-1-2-9-6(10-3)5(8)12/h1-2H,(H2,7,11)(H2,8,12).
What are the key properties of pyrimidine-2,4-dicarboxamide?
pyrimidine-2,4-dicarboxamide has a molecular weight of 166.14 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2,4-dicarboxamide is sourced from PubChem (CID 68833476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).