(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C19H29N5O — CID 97155022

IUPAC(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(N2CC[C@]3(CCCN(C)C3=O)C2)nc(N2CCCC2)n1
InChIInChI=1S/C19H29N5O/c1-3-15-13-16(21-18(20-15)23-10-4-5-11-23)24-12-8-19(14-24)7-6-9-22(2)17(19)25/h13H,3-12,14H2,1-2H3/t19-/m1/s1
InChIKeyLTGWYHQUHWUQGE-LJQANCHMSA-N
MW343.48 g/mol
LogP2.09
Rot. Bonds3

About (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97155022) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97155022
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(N2CC[C@]3(CCCN(C)C3=O)C2)nc(N2CCCC2)n1
InChIInChI=1S/C19H29N5O/c1-3-15-13-16(21-18(20-15)23-10-4-5-11-23)24-12-8-19(14-24)7-6-9-22(2)17(19)25/h13H,3-12,14H2,1-2H3/t19-/m1/s1
InChIKeyLTGWYHQUHWUQGE-LJQANCHMSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 97155022) is (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CCc1cc(N2CC[C@]3(CCCN(C)C3=O)C2)nc(N2CCCC2)n1.
What is the InChIKey of (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LTGWYHQUHWUQGE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-15-13-16(21-18(20-15)23-10-4-5-11-23)24-12-8-19(14-24)7-6-9-22(2)17(19)25/h13H,3-12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 343.48 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97155022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).