N-(trideuteriomethyl)pyrimidine-5-carboxamide

C6H7N3O — CID 168931519

IUPACN-(trideuteriomethyl)pyrimidine-5-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cncnc1
InChIInChI=1S/C6H7N3O/c1-7-6(10)5-2-8-4-9-3-5/h2-4H,1H3,(H,7,10)/i1D3
InChIKeyOLJJTYPPPKTNCJ-FIBGUPNXSA-N
MW140.16 g/mol
LogP-0.16
Rot. Bonds2

About N-(trideuteriomethyl)pyrimidine-5-carboxamide

N-(trideuteriomethyl)pyrimidine-5-carboxamide (PubChem CID 168931519) has the molecular formula C6H7N3O and a molecular weight of 140.16 g/mol. Its IUPAC name is N-(trideuteriomethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(trideuteriomethyl)pyrimidine-5-carboxamide
PubChem CID168931519
Molecular FormulaC6H7N3O
Molecular Weight140.16 g/mol
Exact Mass140.08
IUPAC NameN-(trideuteriomethyl)pyrimidine-5-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cncnc1
InChIInChI=1S/C6H7N3O/c1-7-6(10)5-2-8-4-9-3-5/h2-4H,1H3,(H,7,10)/i1D3
InChIKeyOLJJTYPPPKTNCJ-FIBGUPNXSA-N
XLogP-0.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(trideuteriomethyl)pyrimidine-5-carboxamide (CID 168931519) is N-(trideuteriomethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(trideuteriomethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(trideuteriomethyl)pyrimidine-5-carboxamide is [2H]C([2H])([2H])NC(=O)c1cncnc1.
What is the InChIKey of N-(trideuteriomethyl)pyrimidine-5-carboxamide?
The InChIKey is OLJJTYPPPKTNCJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H7N3O/c1-7-6(10)5-2-8-4-9-3-5/h2-4H,1H3,(H,7,10)/i1D3.
What are the key properties of N-(trideuteriomethyl)pyrimidine-5-carboxamide?
N-(trideuteriomethyl)pyrimidine-5-carboxamide has a molecular weight of 140.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 168931519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).