3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H29N5O3 — CID 70728322

IUPAC3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)c3cnc(NC)nc3)CC2)OC1=O
InChIInChI=1S/C19H29N5O3/c1-4-14(5-2)12-24-13-19(27-18(24)26)6-8-23(9-7-19)16(25)15-10-21-17(20-3)22-11-15/h10-11,14H,4-9,12-13H2,1-3H3,(H,20,21,22)
InChIKeyHOBHZJVIIFPCRT-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.38
Rot. Bonds6

About 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70728322) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70728322
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)c3cnc(NC)nc3)CC2)OC1=O
InChIInChI=1S/C19H29N5O3/c1-4-14(5-2)12-24-13-19(27-18(24)26)6-8-23(9-7-19)16(25)15-10-21-17(20-3)22-11-15/h10-11,14H,4-9,12-13H2,1-3H3,(H,20,21,22)
InChIKeyHOBHZJVIIFPCRT-UHFFFAOYSA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70728322) is 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(C(=O)c3cnc(NC)nc3)CC2)OC1=O.
What is the InChIKey of 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HOBHZJVIIFPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-4-14(5-2)12-24-13-19(27-18(24)26)6-8-23(9-7-19)16(25)15-10-21-17(20-3)22-11-15/h10-11,14H,4-9,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 375.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-8-[2-(methylamino)pyrimidine-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70728322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).