4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one

C10H14BrN5O — CID 80763945

IUPAC4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCNc1ncc(Br)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H14BrN5O/c1-2-12-10-14-5-7(11)9(15-10)16-4-3-13-8(17)6-16/h5H,2-4,6H2,1H3,(H,13,17)(H,12,14,15)
InChIKeyVZBKPESJRLTLLT-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.61
Rot. Bonds3

About 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one

4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80763945) has the molecular formula C10H14BrN5O and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80763945
Molecular FormulaC10H14BrN5O
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCNc1ncc(Br)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H14BrN5O/c1-2-12-10-14-5-7(11)9(15-10)16-4-3-13-8(17)6-16/h5H,2-4,6H2,1H3,(H,13,17)(H,12,14,15)
InChIKeyVZBKPESJRLTLLT-UHFFFAOYSA-N
XLogP0.61
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one (CID 80763945) is 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one is CCNc1ncc(Br)c(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is VZBKPESJRLTLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5O/c1-2-12-10-14-5-7(11)9(15-10)16-4-3-13-8(17)6-16/h5H,2-4,6H2,1H3,(H,13,17)(H,12,14,15).
What are the key properties of 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 300.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80763945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).