5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine

C11H9BrClN7 — CID 53468666

IUPAC5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cnn(-c2nc(-n3cc(Cl)cn3)nc(N)c2Br)c1
InChIInChI=1S/C11H9BrClN7/c1-6-2-15-19(4-6)10-8(12)9(14)17-11(18-10)20-5-7(13)3-16-20/h2-5H,1H3,(H2,14,17,18)
InChIKeyQYZLZNCVHFCJLY-UHFFFAOYSA-N
MW354.60 g/mol
LogP2.15
Rot. Bonds2

About 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine

5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53468666) has the molecular formula C11H9BrClN7 and a molecular weight of 354.60 g/mol. Its IUPAC name is 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID53468666
Molecular FormulaC11H9BrClN7
Molecular Weight354.60 g/mol
Exact Mass352.98
IUPAC Name5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cnn(-c2nc(-n3cc(Cl)cn3)nc(N)c2Br)c1
InChIInChI=1S/C11H9BrClN7/c1-6-2-15-19(4-6)10-8(12)9(14)17-11(18-10)20-5-7(13)3-16-20/h2-5H,1H3,(H2,14,17,18)
InChIKeyQYZLZNCVHFCJLY-UHFFFAOYSA-N
XLogP2.15
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.60
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Taminadenant
CID 53466958
5-Chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467826
4-bromo-1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole
CID 61029452
5-chloro-N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80867891
5-Chloro-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868490
5-chloro-N-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868491
5-chloro-N-propyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868652
5-Bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730
5-Bromo-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 108363862
5-Chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 114049973
4-(4-Bromo-1h-pyrazol-1-yl)-5-chloro-2-fluoropyrimidine
CID 164645252
5-Bromo-6-(4-methylpyrazol-1-yl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 53466960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine (CID 53468666) is 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine is Cc1cnn(-c2nc(-n3cc(Cl)cn3)nc(N)c2Br)c1.
What is the InChIKey of 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is QYZLZNCVHFCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN7/c1-6-2-15-19(4-6)10-8(12)9(14)17-11(18-10)20-5-7(13)3-16-20/h2-5H,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine?
5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 354.60 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53468666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).