N-benzhydryl-5-bromopyrimidin-2-amine

C17H14BrN3 — CID 63874353

IUPACN-benzhydryl-5-bromopyrimidin-2-amine
SMILESBrc1cnc(NC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C17H14BrN3/c18-15-11-19-17(20-12-15)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,(H,19,20,21)
InChIKeyKIACACFPMSNATF-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.44
Rot. Bonds4

About N-benzhydryl-5-bromopyrimidin-2-amine

N-benzhydryl-5-bromopyrimidin-2-amine (PubChem CID 63874353) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-benzhydryl-5-bromopyrimidin-2-amine.

Molecular Properties

Compound NameN-benzhydryl-5-bromopyrimidin-2-amine
PubChem CID63874353
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC NameN-benzhydryl-5-bromopyrimidin-2-amine
SMILESBrc1cnc(NC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C17H14BrN3/c18-15-11-19-17(20-12-15)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,(H,19,20,21)
InChIKeyKIACACFPMSNATF-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
5-bromo-2-phenylpyrimidine
CID 14387745
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
CID 63873636
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292
5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
5-bromo-N-(3-chlorobutan-2-yl)pyrimidin-2-amine
CID 131025720
N-benzhydryl-4-[1-(4-bromo-2-pyridinyl)ethenyl]aniline
CID 175398099
N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
CID 171986494
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-bromopyrimidin-2-amine?
The IUPAC name of N-benzhydryl-5-bromopyrimidin-2-amine (CID 63874353) is N-benzhydryl-5-bromopyrimidin-2-amine.
What is the SMILES notation for N-benzhydryl-5-bromopyrimidin-2-amine?
The canonical SMILES for N-benzhydryl-5-bromopyrimidin-2-amine is Brc1cnc(NC(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of N-benzhydryl-5-bromopyrimidin-2-amine?
The InChIKey is KIACACFPMSNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c18-15-11-19-17(20-12-15)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,(H,19,20,21).
What are the key properties of N-benzhydryl-5-bromopyrimidin-2-amine?
N-benzhydryl-5-bromopyrimidin-2-amine has a molecular weight of 340.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-bromopyrimidin-2-amine is sourced from PubChem (CID 63874353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).