5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

C12H12BrN7 — CID 53467831

IUPAC5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C12H12BrN7/c1-2-14-10-9(13)11(19-7-3-5-15-19)18-12(17-10)20-8-4-6-16-20/h3-8H,2H2,1H3,(H,14,17,18)
InChIKeyKRVHVDSMILNFJO-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.04
Rot. Bonds4

About 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine

5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (PubChem CID 53467831) has the molecular formula C12H12BrN7 and a molecular weight of 334.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
PubChem CID53467831
Molecular FormulaC12H12BrN7
Molecular Weight334.18 g/mol
Exact Mass333.03
IUPAC Name5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(-n2cccn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C12H12BrN7/c1-2-14-10-9(13)11(19-7-3-5-15-19)18-12(17-10)20-8-4-6-16-20/h3-8H,2H2,1H3,(H,14,17,18)
InChIKeyKRVHVDSMILNFJO-UHFFFAOYSA-N
XLogP2.04
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine (CID 53467831) is 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is CCNc1nc(-n2cccn2)nc(-n2cccn2)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is KRVHVDSMILNFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN7/c1-2-14-10-9(13)11(19-7-3-5-15-19)18-12(17-10)20-8-4-6-16-20/h3-8H,2H2,1H3,(H,14,17,18).
What are the key properties of 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 334.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 53467831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).