N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine

C11H8BrCl2N3 — CID 79632289

IUPACN-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCc2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrCl2N3/c12-8-3-1-2-7(4-8)5-15-10-9(13)6-16-11(14)17-10/h1-4,6H,5H2,(H,15,16,17)
InChIKeySBJLZGPWJZYOGN-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.16
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine

N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine (PubChem CID 79632289) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
PubChem CID79632289
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC NameN-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCc2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrCl2N3/c12-8-3-1-2-7(4-8)5-15-10-9(13)6-16-11(14)17-10/h1-4,6H,5H2,(H,15,16,17)
InChIKeySBJLZGPWJZYOGN-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine;hydron;chloride
CID 87400674
N-[(3-bromo-5-fluorophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 144516516
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
4-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]benzonitrile
CID 79632815
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine (CID 79632289) is N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine is Clc1ncc(Cl)c(NCc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
The InChIKey is SBJLZGPWJZYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c12-8-3-1-2-7(4-8)5-15-10-9(13)6-16-11(14)17-10/h1-4,6H,5H2,(H,15,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine has a molecular weight of 333.02 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine is sourced from PubChem (CID 79632289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).