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

C19H29N5O — CID 91765187

IUPAC1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNC1CC(c2cc(N3CCC(CCN4CCCC4=O)CC3)ncn2)C1
InChIInChI=1S/C19H29N5O/c20-16-10-15(11-16)17-12-18(22-13-21-17)23-7-3-14(4-8-23)5-9-24-6-1-2-19(24)25/h12-16H,1-11,20H2
InChIKeyFBSUQRJSXNZZIT-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.91
Rot. Bonds5

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

1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 91765187) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID91765187
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNC1CC(c2cc(N3CCC(CCN4CCCC4=O)CC3)ncn2)C1
InChIInChI=1S/C19H29N5O/c20-16-10-15(11-16)17-12-18(22-13-21-17)23-7-3-14(4-8-23)5-9-24-6-1-2-19(24)25/h12-16H,1-11,20H2
InChIKeyFBSUQRJSXNZZIT-UHFFFAOYSA-N
XLogP1.91
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 91765187) is 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is NC1CC(c2cc(N3CCC(CCN4CCCC4=O)CC3)ncn2)C1.
What is the InChIKey of 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FBSUQRJSXNZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c20-16-10-15(11-16)17-12-18(22-13-21-17)23-7-3-14(4-8-23)5-9-24-6-1-2-19(24)25/h12-16H,1-11,20H2.
What are the key properties of 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91765187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).