3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H27N5O3 — CID 70743461

IUPAC3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)nc(C)n1
InChIInChI=1S/C18H27N5O3/c1-13-11-15(20-14(2)19-13)16(24)22-7-5-18(6-8-22)12-23(17(25)26-18)10-9-21(3)4/h11H,5-10,12H2,1-4H3
InChIKeyCTZFLBYKMOQFTB-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.08
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70743461) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70743461
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)nc(C)n1
InChIInChI=1S/C18H27N5O3/c1-13-11-15(20-14(2)19-13)16(24)22-7-5-18(6-8-22)12-23(17(25)26-18)10-9-21(3)4/h11H,5-10,12H2,1-4H3
InChIKeyCTZFLBYKMOQFTB-UHFFFAOYSA-N
XLogP1.08
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70743461) is 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)O3)nc(C)n1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CTZFLBYKMOQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13-11-15(20-14(2)19-13)16(24)22-7-5-18(6-8-22)12-23(17(25)26-18)10-9-21(3)4/h11H,5-10,12H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 361.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70743461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).