5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine

C8H9BrN6 — CID 80850079

IUPAC5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCn1ccc(Nc2nc(N)ncc2Br)n1
InChIInChI=1S/C8H9BrN6/c1-15-3-2-6(14-15)12-7-5(9)4-11-8(10)13-7/h2-4H,1H3,(H3,10,11,12,13,14)
InChIKeyQXQRINBWJMGZSW-UHFFFAOYSA-N
MW269.11 g/mol
LogP1.30
Rot. Bonds2

About 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine

5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 80850079) has the molecular formula C8H9BrN6 and a molecular weight of 269.11 g/mol. Its IUPAC name is 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID80850079
Molecular FormulaC8H9BrN6
Molecular Weight269.11 g/mol
Exact Mass268.01
IUPAC Name5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCn1ccc(Nc2nc(N)ncc2Br)n1
InChIInChI=1S/C8H9BrN6/c1-15-3-2-6(14-15)12-7-5(9)4-11-8(10)13-7/h2-4H,1H3,(H3,10,11,12,13,14)
InChIKeyQXQRINBWJMGZSW-UHFFFAOYSA-N
XLogP1.30
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 80850079) is 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine is Cn1ccc(Nc2nc(N)ncc2Br)n1.
What is the InChIKey of 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QXQRINBWJMGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6/c1-15-3-2-6(14-15)12-7-5(9)4-11-8(10)13-7/h2-4H,1H3,(H3,10,11,12,13,14).
What are the key properties of 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 269.11 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80850079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).