5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

C15H17BrClN3 — CID 66307338

IUPAC5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2Cl)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyUUSUFHFYBOHCCE-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.48
Rot. Bonds5

About 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66307338) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66307338
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2Cl)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyUUSUFHFYBOHCCE-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
2-[(2-chlorophenyl)methyl]-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298883
5-bromo-N-ethyl-2-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66305359
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305972
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine
CID 66292376
2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307698
2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 62191091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (CID 66307338) is 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccccc2Cl)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is UUSUFHFYBOHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-6-12-14(16)15(18-2)20-13(19-12)9-10-7-4-5-8-11(10)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).