N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide

C16H17BrN4O — CID 99806560

IUPACN-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1ccnc(C2CC2)n1
InChIInChI=1S/C16H17BrN4O/c1-21(14-8-9-18-16(20-14)11-6-7-11)10-15(22)19-13-5-3-2-4-12(13)17/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)
InChIKeyHCGIDPRKOFMIJB-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.19
Rot. Bonds5

About N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide

N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide (PubChem CID 99806560) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
PubChem CID99806560
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1ccnc(C2CC2)n1
InChIInChI=1S/C16H17BrN4O/c1-21(14-8-9-18-16(20-14)11-6-7-11)10-15(22)19-13-5-3-2-4-12(13)17/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)
InChIKeyHCGIDPRKOFMIJB-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide (CID 99806560) is N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)c1ccnc(C2CC2)n1.
What is the InChIKey of N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is HCGIDPRKOFMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-21(14-8-9-18-16(20-14)11-6-7-11)10-15(22)19-13-5-3-2-4-12(13)17/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22).
What are the key properties of N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide?
N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 99806560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).