5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C13H13BrClN3O — CID 106193488

IUPAC5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C13H13BrClN3O/c1-19-7-10-4-2-3-9(5-10)6-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyRGOJLECSPAYIBF-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.65
Rot. Bonds5

About 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 106193488) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID106193488
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C13H13BrClN3O/c1-19-7-10-4-2-3-9(5-10)6-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyRGOJLECSPAYIBF-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
CID 114071639
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 106193488) is 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is COCc1cccc(CNc2ncnc(Cl)c2Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is RGOJLECSPAYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-19-7-10-4-2-3-9(5-10)6-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 342.62 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 106193488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).