6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine

C13H10BrN5 — CID 112559857

IUPAC6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
SMILESNc1cc(-n2cc(Br)cn2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H10BrN5/c14-10-7-16-19(8-10)12-6-11(15)17-13(18-12)9-4-2-1-3-5-9/h1-8H,(H2,15,17,18)
InChIKeyXTBZMNSSNVPOOR-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.67
Rot. Bonds2

About 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine

6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112559857) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID112559857
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
SMILESNc1cc(-n2cc(Br)cn2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H10BrN5/c14-10-7-16-19(8-10)12-6-11(15)17-13(18-12)9-4-2-1-3-5-9/h1-8H,(H2,15,17,18)
InChIKeyXTBZMNSSNVPOOR-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 112559852
2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
CID 102160368
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
2-phenyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 115915426
6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
CID 115915195
6-(2-methylimidazol-1-yl)-2-phenylpyrimidin-4-amine
CID 112559855
4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79176732
3-phenyl-1,2,4-triazin-5-amine
CID 15272334
2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768034
[4-(6-amino-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 115915735
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine (CID 112559857) is 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine is Nc1cc(-n2cc(Br)cn2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is XTBZMNSSNVPOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-10-7-16-19(8-10)12-6-11(15)17-13(18-12)9-4-2-1-3-5-9/h1-8H,(H2,15,17,18).
What are the key properties of 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine?
6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 316.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).