9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H28N4O2 — CID 70716448

IUPAC9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2
InChIInChI=1S/C19H28N4O2/c1-25-11-10-23-13-19(5-4-18(23)24)6-8-22(9-7-19)17-12-16(15-2-3-15)20-14-21-17/h12,14-15H,2-11,13H2,1H3
InChIKeyGATJAVAUJAKGSL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.21
Rot. Bonds5

About 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70716448) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70716448
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2
InChIInChI=1S/C19H28N4O2/c1-25-11-10-23-13-19(5-4-18(23)24)6-8-22(9-7-19)17-12-16(15-2-3-15)20-14-21-17/h12,14-15H,2-11,13H2,1H3
InChIKeyGATJAVAUJAKGSL-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70716448) is 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2.
What is the InChIKey of 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GATJAVAUJAKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-11-10-23-13-19(5-4-18(23)24)6-8-22(9-7-19)17-12-16(15-2-3-15)20-14-21-17/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70716448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).