3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C20H27N5O2 — CID 91764718

IUPAC3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c21-20-22-18(15-12-16(26)13-15)14-19(23-20)25-8-6-24(7-9-25)10-11-27-17-4-2-1-3-5-17/h1-5,14-16,26H,6-13H2,(H2,21,22,23)
InChIKeyLSRDCEORPUCLPO-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.50
Rot. Bonds6

About 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91764718) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91764718
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c21-20-22-18(15-12-16(26)13-15)14-19(23-20)25-8-6-24(7-9-25)10-11-27-17-4-2-1-3-5-17/h1-5,14-16,26H,6-13H2,(H2,21,22,23)
InChIKeyLSRDCEORPUCLPO-UHFFFAOYSA-N
XLogP1.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91764718) is 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(C2CC(O)C2)cc(N2CCN(CCOc3ccccc3)CC2)n1.
What is the InChIKey of 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is LSRDCEORPUCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-20-22-18(15-12-16(26)13-15)14-19(23-20)25-8-6-24(7-9-25)10-11-27-17-4-2-1-3-5-17/h1-5,14-16,26H,6-13H2,(H2,21,22,23).
What are the key properties of 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 369.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91764718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).