6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine

C12H16BrN5 — CID 80857888

IUPAC6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-n2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C12H16BrN5/c1-6-11(14-5)15-9(4)16-12(6)18-8(3)10(13)7(2)17-18/h1-5H3,(H,14,15,16)
InChIKeyUWBKPWALWPRQSD-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.70
Rot. Bonds2

About 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80857888) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80857888
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-n2nc(C)c(Br)c2C)c1C
InChIInChI=1S/C12H16BrN5/c1-6-11(14-5)15-9(4)16-12(6)18-8(3)10(13)7(2)17-18/h1-5H3,(H,14,15,16)
InChIKeyUWBKPWALWPRQSD-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80856782
6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
CID 65168801
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988650
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-6-methylpyrimidin-5-amine
CID 114044042
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80828637

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine (CID 80857888) is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(-n2nc(C)c(Br)c2C)c1C.
What is the InChIKey of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is UWBKPWALWPRQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-6-11(14-5)15-9(4)16-12(6)18-8(3)10(13)7(2)17-18/h1-5H3,(H,14,15,16).
What are the key properties of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine?
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80857888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).