2H-pyrimidine-1,2-dicarboxamide

C6H8N4O2 — CID 141442073

IUPAC2H-pyrimidine-1,2-dicarboxamide
SMILESNC(=O)C1N=CC=CN1C(N)=O
InChIInChI=1S/C6H8N4O2/c7-4(11)5-9-2-1-3-10(5)6(8)12/h1-3,5H,(H2,7,11)(H2,8,12)
InChIKeyOHOPWEZAYRBSKC-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.22
Rot. Bonds1

About 2H-pyrimidine-1,2-dicarboxamide

2H-pyrimidine-1,2-dicarboxamide (PubChem CID 141442073) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2H-pyrimidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2H-pyrimidine-1,2-dicarboxamide
PubChem CID141442073
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2H-pyrimidine-1,2-dicarboxamide
SMILESNC(=O)C1N=CC=CN1C(N)=O
InChIInChI=1S/C6H8N4O2/c7-4(11)5-9-2-1-3-10(5)6(8)12/h1-3,5H,(H2,7,11)(H2,8,12)
InChIKeyOHOPWEZAYRBSKC-UHFFFAOYSA-N
XLogP-1.22
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1,2-dicarboxamide?
The IUPAC name of 2H-pyrimidine-1,2-dicarboxamide (CID 141442073) is 2H-pyrimidine-1,2-dicarboxamide.
What is the SMILES notation for 2H-pyrimidine-1,2-dicarboxamide?
The canonical SMILES for 2H-pyrimidine-1,2-dicarboxamide is NC(=O)C1N=CC=CN1C(N)=O.
What is the InChIKey of 2H-pyrimidine-1,2-dicarboxamide?
The InChIKey is OHOPWEZAYRBSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-4(11)5-9-2-1-3-10(5)6(8)12/h1-3,5H,(H2,7,11)(H2,8,12).
What are the key properties of 2H-pyrimidine-1,2-dicarboxamide?
2H-pyrimidine-1,2-dicarboxamide has a molecular weight of 168.16 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1,2-dicarboxamide is sourced from PubChem (CID 141442073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).