2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide

C14H14BrN3O2 — CID 84590331

IUPAC2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
SMILESCOCc1cc(NC(=O)c2ccc(C)cc2Br)ncn1
InChIInChI=1S/C14H14BrN3O2/c1-9-3-4-11(12(15)5-9)14(19)18-13-6-10(7-20-2)16-8-17-13/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyMBRXTOHETCCEIH-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.95
Rot. Bonds4

About 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide

2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 84590331) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
PubChem CID84590331
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
SMILESCOCc1cc(NC(=O)c2ccc(C)cc2Br)ncn1
InChIInChI=1S/C14H14BrN3O2/c1-9-3-4-11(12(15)5-9)14(19)18-13-6-10(7-20-2)16-8-17-13/h3-6,8H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyMBRXTOHETCCEIH-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
2-bromo-N',N',4-trimethylbenzohydrazide
CID 83016175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide?
The IUPAC name of 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide (CID 84590331) is 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide is COCc1cc(NC(=O)c2ccc(C)cc2Br)ncn1.
What is the InChIKey of 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide?
The InChIKey is MBRXTOHETCCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-3-4-11(12(15)5-9)14(19)18-13-6-10(7-20-2)16-8-17-13/h3-6,8H,7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide?
2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 336.19 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 84590331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).