5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

C11H9BrClN3 — CID 66341926

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1cccc(CNc2ncncc2Br)c1
InChIInChI=1S/C11H9BrClN3/c12-10-6-14-7-16-11(10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,14,15,16)
InChIKeyTYUKVTQJDNTXCM-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.50
Rot. Bonds3

About 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine (PubChem CID 66341926) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
PubChem CID66341926
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1cccc(CNc2ncncc2Br)c1
InChIInChI=1S/C11H9BrClN3/c12-10-6-14-7-16-11(10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,14,15,16)
InChIKeyTYUKVTQJDNTXCM-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine (CID 66341926) is 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine is Clc1cccc(CNc2ncncc2Br)c1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is TYUKVTQJDNTXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c12-10-6-14-7-16-11(10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,14,15,16).
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine?
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 298.57 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66341926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).