N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine

C15H18BrN3O — CID 106998746

IUPACN-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
SMILESCCCN(Cc1ccccc1)c1ncc(Br)c(OC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-9-19(11-12-7-5-4-6-8-12)15-17-10-13(16)14(18-15)20-2/h4-8,10H,3,9,11H2,1-2H3
InChIKeyOJCUBRXHZVGRIA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.66
Rot. Bonds6

About N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine

N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine (PubChem CID 106998746) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
PubChem CID106998746
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
SMILESCCCN(Cc1ccccc1)c1ncc(Br)c(OC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-9-19(11-12-7-5-4-6-8-12)15-17-10-13(16)14(18-15)20-2/h4-8,10H,3,9,11H2,1-2H3
InChIKeyOJCUBRXHZVGRIA-UHFFFAOYSA-N
XLogP3.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 106998750
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
N-benzyl-N-propylaniline
CID 14671265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine?
The IUPAC name of N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine (CID 106998746) is N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine is CCCN(Cc1ccccc1)c1ncc(Br)c(OC)n1.
What is the InChIKey of N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine?
The InChIKey is OJCUBRXHZVGRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-9-19(11-12-7-5-4-6-8-12)15-17-10-13(16)14(18-15)20-2/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine?
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106998746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).