1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C21H33N5O2 — CID 70743430

IUPAC1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(Cc2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C21H33N5O2/c27-20-4-1-8-26(20)11-7-17-5-9-25(10-6-17)16-18-13-22-21(23-14-18)24-15-19-3-2-12-28-19/h13-14,17,19H,1-12,15-16H2,(H,22,23,24)
InChIKeyVUJBBYWMMRXXFG-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.29
Rot. Bonds8

About 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70743430) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70743430
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(Cc2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C21H33N5O2/c27-20-4-1-8-26(20)11-7-17-5-9-25(10-6-17)16-18-13-22-21(23-14-18)24-15-19-3-2-12-28-19/h13-14,17,19H,1-12,15-16H2,(H,22,23,24)
InChIKeyVUJBBYWMMRXXFG-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70743430) is 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN(Cc2cnc(NCC3CCCO3)nc2)CC1.
What is the InChIKey of 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is VUJBBYWMMRXXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c27-20-4-1-8-26(20)11-7-17-5-9-25(10-6-17)16-18-13-22-21(23-14-18)24-15-19-3-2-12-28-19/h13-14,17,19H,1-12,15-16H2,(H,22,23,24).
What are the key properties of 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 387.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70743430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).