5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine

C9H10BrN5 — CID 80852890

IUPAC5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(Br)c(-n2cc(C)cn2)n1
InChIInChI=1S/C9H10BrN5/c1-6-3-13-15(5-6)8-7(10)4-12-9(11-2)14-8/h3-5H,1-2H3,(H,11,12,14)
InChIKeyUNZYCCNQTNOWPV-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.77
Rot. Bonds2

About 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine

5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 80852890) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID80852890
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(Br)c(-n2cc(C)cn2)n1
InChIInChI=1S/C9H10BrN5/c1-6-3-13-15(5-6)8-7(10)4-12-9(11-2)14-8/h3-5H,1-2H3,(H,11,12,14)
InChIKeyUNZYCCNQTNOWPV-UHFFFAOYSA-N
XLogP1.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine (CID 80852890) is 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine is CNc1ncc(Br)c(-n2cc(C)cn2)n1.
What is the InChIKey of 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is UNZYCCNQTNOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c1-6-3-13-15(5-6)8-7(10)4-12-9(11-2)14-8/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine?
5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 268.12 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80852890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).