9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H20N4O3 — CID 97471375

IUPAC9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CC2)CN(C)C(=O)CO3)ncn1
InChIInChI=1S/C14H20N4O3/c1-17-9-14(21-8-13(17)19)3-5-18(6-4-14)11-7-12(20-2)16-10-15-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQOCUBAKAIYKHPH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.31
Rot. Bonds2

About 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471375) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471375
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CC2)CN(C)C(=O)CO3)ncn1
InChIInChI=1S/C14H20N4O3/c1-17-9-14(21-8-13(17)19)3-5-18(6-4-14)11-7-12(20-2)16-10-15-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQOCUBAKAIYKHPH-UHFFFAOYSA-N
XLogP0.31
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471375) is 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cc(N2CCC3(CC2)CN(C)C(=O)CO3)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QOCUBAKAIYKHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-9-14(21-8-13(17)19)3-5-18(6-4-14)11-7-12(20-2)16-10-15-11/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 292.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).