N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine

C17H15BrN4O — CID 135246616

IUPACN-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1ncc(Oc2ncccc2Br)cn1
InChIInChI=1S/C17H15BrN4O/c1-22(12-13-6-3-2-4-7-13)17-20-10-14(11-21-17)23-16-15(18)8-5-9-19-16/h2-11H,12H2,1H3
InChIKeyLOQURQYBNOCKOA-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine

N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine (PubChem CID 135246616) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
PubChem CID135246616
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC NameN-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1ncc(Oc2ncccc2Br)cn1
InChIInChI=1S/C17H15BrN4O/c1-22(12-13-6-3-2-4-7-13)17-20-10-14(11-21-17)23-16-15(18)8-5-9-19-16/h2-11H,12H2,1H3
InChIKeyLOQURQYBNOCKOA-UHFFFAOYSA-N
XLogP4.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-Bromo-2-methoxybenzyl)-1-piperazinyl]pyrimidine
CID 1240303
U 99363
CID 133107
4-(2-Phenoxy-3-pyridinyl)pyrimidin-2-amine
CID 141385808
5-(5-bromopyridin-2-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76283271
5-(4-bromophenyl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76284024
N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
CID 12051154
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 15653020
7-[(6-Methyl-2-pyridinyl)methyl]-4-pyridin-3-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404896
4-[3-[(3-Bromo-2-pyridinyl)oxy]azetidin-1-yl]pyrimidine
CID 58548131
5-Bromo-2-(pyridin-3-yl oxy)-pyrimidine
CID 4279430
5-bromo-N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methyl]pyridin-2-amine
CID 12194363
5-Bromo-2-(2-methoxypyridin-3-yloxy)pyrimidine
CID 42605979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine (CID 135246616) is N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine is CN(Cc1ccccc1)c1ncc(Oc2ncccc2Br)cn1.
What is the InChIKey of N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine?
The InChIKey is LOQURQYBNOCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-22(12-13-6-3-2-4-7-13)17-20-10-14(11-21-17)23-16-15(18)8-5-9-19-16/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine?
N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine has a molecular weight of 371.24 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 135246616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).