5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine

C12H16BrN5 — CID 112671013

IUPAC5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc(N)c(Br)c(CC)n1
InChIInChI=1S/C12H16BrN5/c1-4-8-7(6-18(3)17-8)12-15-9(5-2)10(13)11(14)16-12/h6H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyJVOUMACTNGJRLO-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.35
Rot. Bonds3

About 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 112671013) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID112671013
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCc1nn(C)cc1-c1nc(N)c(Br)c(CC)n1
InChIInChI=1S/C12H16BrN5/c1-4-8-7(6-18(3)17-8)12-15-9(5-2)10(13)11(14)16-12/h6H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyJVOUMACTNGJRLO-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
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-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 112671013) is 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine is CCc1nn(C)cc1-c1nc(N)c(Br)c(CC)n1.
What is the InChIKey of 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is JVOUMACTNGJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-4-8-7(6-18(3)17-8)12-15-9(5-2)10(13)11(14)16-12/h6H,4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 112671013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).