2-aminopyrimidine-4,6-dicarboxamide

C6H7N5O2 — CID 16726442

IUPAC2-aminopyrimidine-4,6-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)nc(N)n1
InChIInChI=1S/C6H7N5O2/c7-4(12)2-1-3(5(8)13)11-6(9)10-2/h1H,(H2,7,12)(H2,8,13)(H2,9,10,11)
InChIKeyOGUUGMKFRHMJGZ-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.74
Rot. Bonds2

About 2-aminopyrimidine-4,6-dicarboxamide

2-aminopyrimidine-4,6-dicarboxamide (PubChem CID 16726442) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-aminopyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name2-aminopyrimidine-4,6-dicarboxamide
PubChem CID16726442
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-aminopyrimidine-4,6-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)nc(N)n1
InChIInChI=1S/C6H7N5O2/c7-4(12)2-1-3(5(8)13)11-6(9)10-2/h1H,(H2,7,12)(H2,8,13)(H2,9,10,11)
InChIKeyOGUUGMKFRHMJGZ-UHFFFAOYSA-N
XLogP-1.74
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrimidine-4,6-dicarboxamide?
The IUPAC name of 2-aminopyrimidine-4,6-dicarboxamide (CID 16726442) is 2-aminopyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 2-aminopyrimidine-4,6-dicarboxamide?
The canonical SMILES for 2-aminopyrimidine-4,6-dicarboxamide is NC(=O)c1cc(C(N)=O)nc(N)n1.
What is the InChIKey of 2-aminopyrimidine-4,6-dicarboxamide?
The InChIKey is OGUUGMKFRHMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c7-4(12)2-1-3(5(8)13)11-6(9)10-2/h1H,(H2,7,12)(H2,8,13)(H2,9,10,11).
What are the key properties of 2-aminopyrimidine-4,6-dicarboxamide?
2-aminopyrimidine-4,6-dicarboxamide has a molecular weight of 181.16 g/mol, XLogP of -1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 16726442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).