2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine

C10H9BrClN3 — CID 136628448

IUPAC2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine
SMILESNC1=NC(Cl)(c2ccccc2Br)NC=C1
InChIInChI=1S/C10H9BrClN3/c11-8-4-2-1-3-7(8)10(12)14-6-5-9(13)15-10/h1-6,14H,(H2,13,15)
InChIKeyCVGLIKKBMFCKHS-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.27
Rot. Bonds1

About 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine

2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine (PubChem CID 136628448) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine
PubChem CID136628448
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine
SMILESNC1=NC(Cl)(c2ccccc2Br)NC=C1
InChIInChI=1S/C10H9BrClN3/c11-8-4-2-1-3-7(8)10(12)14-6-5-9(13)15-10/h1-6,14H,(H2,13,15)
InChIKeyCVGLIKKBMFCKHS-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2-Bromophenyl)-1,4,5,6-tetrahydropyrimidine
CID 44623001
2-chloro-2-(2-fluorophenyl)-1H-pyrimidin-4-amine
CID 136479386
2-(2,5-dibromophenyl)-1H-pyrimidine-2,4-diamine
CID 136364097
2-(2,4-dibromophenyl)-1H-pyrimidine-2,4-diamine
CID 136364101
2-chloro-2-phenyl-1H-pyrimidin-4-amine;hydrochloride
CID 136479388
2-chloro-2-(2-iodophenyl)-1H-pyrimidin-4-amine
CID 136628450
2-[(2-bromophenyl)methyl]-5-chloro-1H-pyrimidine-2,4-diamine
CID 154225030
2-(3-Bromophenyl)-1,2-dihydropyrimidine;ethane
CID 168922857
N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79507396
N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508993
2-chloro-2-phenyl-1H-pyrimidin-4-amine
CID 136479389
2-(3-Bromophenyl)-1,2-dihydropyrimidine
CID 168922858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine (CID 136628448) is 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine is NC1=NC(Cl)(c2ccccc2Br)NC=C1.
What is the InChIKey of 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine?
The InChIKey is CVGLIKKBMFCKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-8-4-2-1-3-7(8)10(12)14-6-5-9(13)15-10/h1-6,14H,(H2,13,15).
What are the key properties of 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine?
2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine has a molecular weight of 286.56 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-chloro-1H-pyrimidin-4-amine is sourced from PubChem (CID 136628448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).