N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine

C15H17BrClN3 — CID 80938179

IUPACN-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-4-14-19-13(17)9-15(20-14)18-10(2)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyFFNLKIFXKONPFS-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.02
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine

N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine (PubChem CID 80938179) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
PubChem CID80938179
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-4-14-19-13(17)9-15(20-14)18-10(2)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyFFNLKIFXKONPFS-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
CID 104924061
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
4-[1-[(6-bromo-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192818
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942940
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine (CID 80938179) is N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)c2ccc(Br)cc2)n1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine?
The InChIKey is FFNLKIFXKONPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-4-14-19-13(17)9-15(20-14)18-10(2)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine?
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80938179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).