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

C11H7BrCl2FN3 — CID 114071730

IUPAC5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc(Cl)c2Br)cc1Cl
InChIInChI=1S/C11H7BrCl2FN3/c12-9-10(14)17-5-18-11(9)16-4-6-1-2-8(15)7(13)3-6/h1-3,5H,4H2,(H,16,17,18)
InChIKeyKLUHMOUWWHFROY-UHFFFAOYSA-N
MW351.01 g/mol
LogP4.30
Rot. Bonds3

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

5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 114071730) has the molecular formula C11H7BrCl2FN3 and a molecular weight of 351.01 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID114071730
Molecular FormulaC11H7BrCl2FN3
Molecular Weight351.01 g/mol
Exact Mass348.92
IUPAC Name5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc(Cl)c2Br)cc1Cl
InChIInChI=1S/C11H7BrCl2FN3/c12-9-10(14)17-5-18-11(9)16-4-6-1-2-8(15)7(13)3-6/h1-3,5H,4H2,(H,16,17,18)
InChIKeyKLUHMOUWWHFROY-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64623499
5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106421690
3-[(3-chloro-4-fluorophenyl)methylamino]pyrazine-2-carbothioamide
CID 62683624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine (CID 114071730) is 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine is Fc1ccc(CNc2ncnc(Cl)c2Br)cc1Cl.
What is the InChIKey of 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is KLUHMOUWWHFROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2FN3/c12-9-10(14)17-5-18-11(9)16-4-6-1-2-8(15)7(13)3-6/h1-3,5H,4H2,(H,16,17,18).
What are the key properties of 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 351.01 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114071730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).