5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide

C10H14BrN3O — CID 70896475

IUPAC5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide
SMILESCN(C(=O)c1ncc(Br)cn1)C(C)(C)C
InChIInChI=1S/C10H14BrN3O/c1-10(2,3)14(4)9(15)8-12-5-7(11)6-13-8/h5-6H,1-4H3
InChIKeyFDDIHXZHBITNQH-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.11
Rot. Bonds1

About 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide

5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide (PubChem CID 70896475) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide
PubChem CID70896475
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide
SMILESCN(C(=O)c1ncc(Br)cn1)C(C)(C)C
InChIInChI=1S/C10H14BrN3O/c1-10(2,3)14(4)9(15)8-12-5-7(11)6-13-8/h5-6H,1-4H3
InChIKeyFDDIHXZHBITNQH-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide (CID 70896475) is 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide is CN(C(=O)c1ncc(Br)cn1)C(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide?
The InChIKey is FDDIHXZHBITNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-10(2,3)14(4)9(15)8-12-5-7(11)6-13-8/h5-6H,1-4H3.
What are the key properties of 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide?
5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 70896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).