N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C15H17BrClN3O — CID 133387523

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C15H17BrClN3O/c1-10-7-14(20-15(19-10)9-21-2)18-6-5-11-8-12(17)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeyPAGBNBZJXUWBSA-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133387523) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133387523
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCCc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C15H17BrClN3O/c1-10-7-14(20-15(19-10)9-21-2)18-6-5-11-8-12(17)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeyPAGBNBZJXUWBSA-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133387521
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
CID 138053604
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920984
2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80653921
N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133350630

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133387523) is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NCCc2cc(Cl)ccc2Br)n1.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is PAGBNBZJXUWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-10-7-14(20-15(19-10)9-21-2)18-6-5-11-8-12(17)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 370.68 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133387523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).