6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

C10H12BrN5 — CID 80853089

IUPAC6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(Br)cn1
InChIInChI=1S/C10H12BrN5/c1-6(2)8-9(12)13-5-14-10(8)16-4-7(11)3-15-16/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyLEVXDTCFSAKOEL-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.13
Rot. Bonds2

About 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80853089) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80853089
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(Br)cn1
InChIInChI=1S/C10H12BrN5/c1-6(2)8-9(12)13-5-14-10(8)16-4-7(11)3-15-16/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyLEVXDTCFSAKOEL-UHFFFAOYSA-N
XLogP2.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80841993
6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80868992
5-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793564
[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80903935
6-(4-bromopyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476407
6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80834520
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
6-(2,5-dimethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80846958
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 82968622
1-[3-bromo-4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 62910663

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80853089) is 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1-n1cc(Br)cn1.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LEVXDTCFSAKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6(2)8-9(12)13-5-14-10(8)16-4-7(11)3-15-16/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 282.15 g/mol, XLogP of 2.13, 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)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80853089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).