2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide

C14H15BrN4O2 — CID 122298027

IUPAC2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cnc(N(C)C)nc2)c1
InChIInChI=1S/C14H15BrN4O2/c1-19(2)14-16-7-9(8-17-14)18-13(20)11-6-10(21-3)4-5-12(11)15/h4-8H,1-3H3,(H,18,20)
InChIKeyWCMKMXPNIDVJPL-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.57
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide

2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide (PubChem CID 122298027) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
PubChem CID122298027
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cnc(N(C)C)nc2)c1
InChIInChI=1S/C14H15BrN4O2/c1-19(2)14-16-7-9(8-17-14)18-13(20)11-6-10(21-3)4-5-12(11)15/h4-8H,1-3H3,(H,18,20)
InChIKeyWCMKMXPNIDVJPL-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
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CID 27645934
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
2-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299391
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
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2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide (CID 122298027) is 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cnc(N(C)C)nc2)c1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide?
The InChIKey is WCMKMXPNIDVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-19(2)14-16-7-9(8-17-14)18-13(20)11-6-10(21-3)4-5-12(11)15/h4-8H,1-3H3,(H,18,20).
What are the key properties of 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide?
2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide has a molecular weight of 351.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide is sourced from PubChem (CID 122298027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).