N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine

C14H15BrClN3 — CID 107576956

IUPACN-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-3-4-12-13(16)17-8-18-14(12)19-11-6-9(2)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYKYSVSUREBNCMY-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.90
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine

N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 107576956) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
PubChem CID107576956
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-3-4-12-13(16)17-8-18-14(12)19-11-6-9(2)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYKYSVSUREBNCMY-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine (CID 107576956) is N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is YKYSVSUREBNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-3-4-12-13(16)17-8-18-14(12)19-11-6-9(2)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 107576956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).