N-(4-bromophenyl)pyrimidin-5-amine

C10H8BrN3 — CID 115046650

IUPACN-(4-bromophenyl)pyrimidin-5-amine
SMILESBrc1ccc(Nc2cncnc2)cc1
InChIInChI=1S/C10H8BrN3/c11-8-1-3-9(4-2-8)14-10-5-12-7-13-6-10/h1-7,14H
InChIKeyGENCHBOTHPZKDM-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.98
Rot. Bonds2

About N-(4-bromophenyl)pyrimidin-5-amine

N-(4-bromophenyl)pyrimidin-5-amine (PubChem CID 115046650) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is N-(4-bromophenyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)pyrimidin-5-amine
PubChem CID115046650
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC NameN-(4-bromophenyl)pyrimidin-5-amine
SMILESBrc1ccc(Nc2cncnc2)cc1
InChIInChI=1S/C10H8BrN3/c11-8-1-3-9(4-2-8)14-10-5-12-7-13-6-10/h1-7,14H
InChIKeyGENCHBOTHPZKDM-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine
CID 82535721
3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine
CID 6413000
5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
CID 104531457
1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
CID 139138135
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
CID 166223616
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
N-(4-bromophenyl)-5-chloropyrazin-2-amine
CID 131014354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)pyrimidin-5-amine?
The IUPAC name of N-(4-bromophenyl)pyrimidin-5-amine (CID 115046650) is N-(4-bromophenyl)pyrimidin-5-amine.
What is the SMILES notation for N-(4-bromophenyl)pyrimidin-5-amine?
The canonical SMILES for N-(4-bromophenyl)pyrimidin-5-amine is Brc1ccc(Nc2cncnc2)cc1.
What is the InChIKey of N-(4-bromophenyl)pyrimidin-5-amine?
The InChIKey is GENCHBOTHPZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3/c11-8-1-3-9(4-2-8)14-10-5-12-7-13-6-10/h1-7,14H.
What are the key properties of N-(4-bromophenyl)pyrimidin-5-amine?
N-(4-bromophenyl)pyrimidin-5-amine has a molecular weight of 250.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)pyrimidin-5-amine is sourced from PubChem (CID 115046650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).