N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine

C14H15BrClN3 — CID 63736451

IUPACN-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrClN3/c1-2-3-12-13(16)18-9-19-14(12)17-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,18,19)
InChIKeyAKFHSUUCLUZBDJ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.46
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 63736451) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
PubChem CID63736451
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrClN3/c1-2-3-12-13(16)18-9-19-14(12)17-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,18,19)
InChIKeyAKFHSUUCLUZBDJ-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118129224
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine (CID 63736451) is N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is AKFHSUUCLUZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-2-3-12-13(16)18-9-19-14(12)17-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63736451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).