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

C18H29N5O2 — CID 91791483

IUPAC1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)CCN2CCCCC2=O)n1
InChIInChI=1S/C18H29N5O2/c1-22(7-8-23-6-4-3-5-18(23)24)17-11-15(13-9-14(19)10-13)20-16(21-17)12-25-2/h11,13-14H,3-10,12,19H2,1-2H3
InChIKeyLABIBIAIDUDEMS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.28
Rot. Bonds7

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

1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one (PubChem CID 91791483) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
PubChem CID91791483
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)CCN2CCCCC2=O)n1
InChIInChI=1S/C18H29N5O2/c1-22(7-8-23-6-4-3-5-18(23)24)17-11-15(13-9-14(19)10-13)20-16(21-17)12-25-2/h11,13-14H,3-10,12,19H2,1-2H3
InChIKeyLABIBIAIDUDEMS-UHFFFAOYSA-N
XLogP1.28
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one (CID 91791483) is 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one is COCc1nc(C2CC(N)C2)cc(N(C)CCN2CCCCC2=O)n1.
What is the InChIKey of 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The InChIKey is LABIBIAIDUDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(7-8-23-6-4-3-5-18(23)24)17-11-15(13-9-14(19)10-13)20-16(21-17)12-25-2/h11,13-14H,3-10,12,19H2,1-2H3.
What are the key properties of 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 91791483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).