N-methylpyrimidine-5-carboxamide

C6H7N3O — CID 23534458

IUPACN-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1
InChIInChI=1S/C6H7N3O/c1-7-6(10)5-2-8-4-9-3-5/h2-4H,1H3,(H,7,10)
InChIKeyOLJJTYPPPKTNCJ-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.16
Rot. Bonds1

About N-methylpyrimidine-5-carboxamide

N-methylpyrimidine-5-carboxamide (PubChem CID 23534458) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methylpyrimidine-5-carboxamide
PubChem CID23534458
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC NameN-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1
InChIInChI=1S/C6H7N3O/c1-7-6(10)5-2-8-4-9-3-5/h2-4H,1H3,(H,7,10)
InChIKeyOLJJTYPPPKTNCJ-UHFFFAOYSA-N
XLogP-0.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
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-methylpyrimidine-5-carboxamide?
The IUPAC name of N-methylpyrimidine-5-carboxamide (CID 23534458) is N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-methylpyrimidine-5-carboxamide is CNC(=O)c1cncnc1.
What is the InChIKey of N-methylpyrimidine-5-carboxamide?
The InChIKey is OLJJTYPPPKTNCJ-UHFFFAOYSA-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).
What are the key properties of N-methylpyrimidine-5-carboxamide?
N-methylpyrimidine-5-carboxamide has a molecular weight of 137.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 23534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).