1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C19H29N5O2 — CID 91790541

IUPAC1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(C2CC(O)C2)cc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O2/c20-19-21-16(14-10-15(25)11-14)12-17(22-19)23-7-3-13(4-8-23)5-9-24-6-1-2-18(24)26/h12-15,25H,1-11H2,(H2,20,21,22)
InChIKeyLBRGLPRADLXUOY-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.53
Rot. Bonds5

About 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 91790541) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID91790541
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(C2CC(O)C2)cc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O2/c20-19-21-16(14-10-15(25)11-14)12-17(22-19)23-7-3-13(4-8-23)5-9-24-6-1-2-18(24)26/h12-15,25H,1-11H2,(H2,20,21,22)
InChIKeyLBRGLPRADLXUOY-UHFFFAOYSA-N
XLogP1.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 91790541) is 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is Nc1nc(C2CC(O)C2)cc(N2CCC(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LBRGLPRADLXUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c20-19-21-16(14-10-15(25)11-14)12-17(22-19)23-7-3-13(4-8-23)5-9-24-6-1-2-18(24)26/h12-15,25H,1-11H2,(H2,20,21,22).
What are the key properties of 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91790541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).