2-(3-bromonaphthalen-2-yl)pyrimidine

C14H9BrN2 — CID 102173412

IUPAC2-(3-bromonaphthalen-2-yl)pyrimidine
SMILESBrc1cc2ccccc2cc1-c1ncccn1
InChIInChI=1S/C14H9BrN2/c15-13-9-11-5-2-1-4-10(11)8-12(13)14-16-6-3-7-17-14/h1-9H
InChIKeySMZDGMFHNLDBPX-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.06
Rot. Bonds1

About 2-(3-bromonaphthalen-2-yl)pyrimidine

2-(3-bromonaphthalen-2-yl)pyrimidine (PubChem CID 102173412) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(3-bromonaphthalen-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromonaphthalen-2-yl)pyrimidine
PubChem CID102173412
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name2-(3-bromonaphthalen-2-yl)pyrimidine
SMILESBrc1cc2ccccc2cc1-c1ncccn1
InChIInChI=1S/C14H9BrN2/c15-13-9-11-5-2-1-4-10(11)8-12(13)14-16-6-3-7-17-14/h1-9H
InChIKeySMZDGMFHNLDBPX-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-5-phenylpyrimidine
CID 768098
Pyrimidine, 4-(2-naphthalenyl)-
CID 3301513
5-[(4-Bromonaphthalen-1-yl)methyl]pyrimidine-2,4-diamine
CID 44386711
6-bromo-N-pyrimidin-4-ylisoquinolin-3-amine
CID 49831052
2-(4-Bromophenyl)pyrimidine
CID 22287544
6-(2-Bromo-6-methylphenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine
CID 44350618
6-(3-Bromo-2-methylphenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine
CID 44350619
N-benzyl-N-(naphthalen-2-ylmethyl)pyrimidin-4-amine
CID 44473502
5-(4-Bromophenyl)-2-methylpyrimidine
CID 2843478
Naphthylpyrimidine
CID 22489008
5-(4-Bromophenyl)-2-(4-hexylphenyl)pyrimidine
CID 2057882
2-(3-Bromo-2-methylphenyl)pyrimidine
CID 132567490

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromonaphthalen-2-yl)pyrimidine?
The IUPAC name of 2-(3-bromonaphthalen-2-yl)pyrimidine (CID 102173412) is 2-(3-bromonaphthalen-2-yl)pyrimidine.
What is the SMILES notation for 2-(3-bromonaphthalen-2-yl)pyrimidine?
The canonical SMILES for 2-(3-bromonaphthalen-2-yl)pyrimidine is Brc1cc2ccccc2cc1-c1ncccn1.
What is the InChIKey of 2-(3-bromonaphthalen-2-yl)pyrimidine?
The InChIKey is SMZDGMFHNLDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-13-9-11-5-2-1-4-10(11)8-12(13)14-16-6-3-7-17-14/h1-9H.
What are the key properties of 2-(3-bromonaphthalen-2-yl)pyrimidine?
2-(3-bromonaphthalen-2-yl)pyrimidine has a molecular weight of 285.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromonaphthalen-2-yl)pyrimidine is sourced from PubChem (CID 102173412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).