5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine

C11H14BrN5 — CID 66298716

IUPAC5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccn(C)n2)nc(N)c1Br
InChIInChI=1S/C11H14BrN5/c1-6(2)9-8(12)10(13)15-11(14-9)7-4-5-17(3)16-7/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyRMNKAKJCMWOGDZ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.35
Rot. Bonds2

About 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66298716) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66298716
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccn(C)n2)nc(N)c1Br
InChIInChI=1S/C11H14BrN5/c1-6(2)9-8(12)10(13)15-11(14-9)7-4-5-17(3)16-7/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyRMNKAKJCMWOGDZ-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.35
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-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine (CID 66298716) is 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(-c2ccn(C)n2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is RMNKAKJCMWOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-6(2)9-8(12)10(13)15-11(14-9)7-4-5-17(3)16-7/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66298716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).