4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one

C17H26N6O — CID 91779038

IUPAC4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(C3CCCC3)C(=O)C2)n1
InChIInChI=1S/C17H26N6O/c18-12-7-11(8-12)14-9-15(21-17(19)20-14)22-5-6-23(16(24)10-22)13-3-1-2-4-13/h9,11-13H,1-8,10,18H2,(H2,19,20,21)
InChIKeyDVWATFOAUVRQHC-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one

4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one (PubChem CID 91779038) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one
PubChem CID91779038
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(C3CCCC3)C(=O)C2)n1
InChIInChI=1S/C17H26N6O/c18-12-7-11(8-12)14-9-15(21-17(19)20-14)22-5-6-23(16(24)10-22)13-3-1-2-4-13/h9,11-13H,1-8,10,18H2,(H2,19,20,21)
InChIKeyDVWATFOAUVRQHC-UHFFFAOYSA-N
XLogP0.85
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one (CID 91779038) is 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one is Nc1nc(C2CC(N)C2)cc(N2CCN(C3CCCC3)C(=O)C2)n1.
What is the InChIKey of 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one?
The InChIKey is DVWATFOAUVRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c18-12-7-11(8-12)14-9-15(21-17(19)20-14)22-5-6-23(16(24)10-22)13-3-1-2-4-13/h9,11-13H,1-8,10,18H2,(H2,19,20,21).
What are the key properties of 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one?
4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one has a molecular weight of 330.44 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 91779038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).