N,N-dibenzyl-5-bromopyrimidin-2-amine

C18H16BrN3 — CID 5012302

IUPACN,N-dibenzyl-5-bromopyrimidin-2-amine
SMILESBrc1cnc(N(Cc2ccccc2)Cc2ccccc2)nc1
InChIInChI=1S/C18H16BrN3/c19-17-11-20-18(21-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyQRWDAIXMGNQNLW-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.45
Rot. Bonds5

About N,N-dibenzyl-5-bromopyrimidin-2-amine

N,N-dibenzyl-5-bromopyrimidin-2-amine (PubChem CID 5012302) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is N,N-dibenzyl-5-bromopyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-5-bromopyrimidin-2-amine
PubChem CID5012302
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC NameN,N-dibenzyl-5-bromopyrimidin-2-amine
SMILESBrc1cnc(N(Cc2ccccc2)Cc2ccccc2)nc1
InChIInChI=1S/C18H16BrN3/c19-17-11-20-18(21-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyQRWDAIXMGNQNLW-UHFFFAOYSA-N
XLogP4.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-bromopyrimidin-2-amine?
The IUPAC name of N,N-dibenzyl-5-bromopyrimidin-2-amine (CID 5012302) is N,N-dibenzyl-5-bromopyrimidin-2-amine.
What is the SMILES notation for N,N-dibenzyl-5-bromopyrimidin-2-amine?
The canonical SMILES for N,N-dibenzyl-5-bromopyrimidin-2-amine is Brc1cnc(N(Cc2ccccc2)Cc2ccccc2)nc1.
What is the InChIKey of N,N-dibenzyl-5-bromopyrimidin-2-amine?
The InChIKey is QRWDAIXMGNQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c19-17-11-20-18(21-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of N,N-dibenzyl-5-bromopyrimidin-2-amine?
N,N-dibenzyl-5-bromopyrimidin-2-amine has a molecular weight of 354.25 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-bromopyrimidin-2-amine is sourced from PubChem (CID 5012302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).