5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine

C10H16ClN5 — CID 80836911

IUPAC5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C10H16ClN5/c1-2-13-10-14-7-8(11)9(15-10)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyLXFOPCRVBHCVRU-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.97
Rot. Bonds3

About 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine

5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 80836911) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID80836911
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C10H16ClN5/c1-2-13-10-14-7-8(11)9(15-10)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyLXFOPCRVBHCVRU-UHFFFAOYSA-N
XLogP0.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine (CID 80836911) is 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine is CCNc1ncc(Cl)c(N2CCNCC2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is LXFOPCRVBHCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-2-13-10-14-7-8(11)9(15-10)16-5-3-12-4-6-16/h7,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine?
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 80836911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).