5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C10H12BrN5 — CID 66297403

IUPAC5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1-c1ncc(Br)c(N)n1
InChIInChI=1S/C10H12BrN5/c1-5-8(6(2)16(3)15-5)10-13-4-7(11)9(12)14-10/h4H,1-3H3,(H2,12,13,14)
InChIKeyKQLCWZAEMQZZKB-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.84
Rot. Bonds1

About 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66297403) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66297403
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1-c1ncc(Br)c(N)n1
InChIInChI=1S/C10H12BrN5/c1-5-8(6(2)16(3)15-5)10-13-4-7(11)9(12)14-10/h4H,1-3H3,(H2,12,13,14)
InChIKeyKQLCWZAEMQZZKB-UHFFFAOYSA-N
XLogP1.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66297403) is 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is Cc1nn(C)c(C)c1-c1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is KQLCWZAEMQZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-5-8(6(2)16(3)15-5)10-13-4-7(11)9(12)14-10/h4H,1-3H3,(H2,12,13,14).
What are the key properties of 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 282.15 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66297403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).