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

C20H31N5O — CID 70764439

IUPAC9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2
InChIInChI=1S/C20H31N5O/c1-23(2)11-12-25-14-20(6-5-19(25)26)7-9-24(10-8-20)18-13-17(16-3-4-16)21-15-22-18/h13,15-16H,3-12,14H2,1-2H3
InChIKeyMPUVQUUOYSGYPX-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.12
Rot. Bonds5

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

9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70764439) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70764439
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2
InChIInChI=1S/C20H31N5O/c1-23(2)11-12-25-14-20(6-5-19(25)26)7-9-24(10-8-20)18-13-17(16-3-4-16)21-15-22-18/h13,15-16H,3-12,14H2,1-2H3
InChIKeyMPUVQUUOYSGYPX-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.12
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-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70764439) is 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2.
What is the InChIKey of 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MPUVQUUOYSGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-23(2)11-12-25-14-20(6-5-19(25)26)7-9-24(10-8-20)18-13-17(16-3-4-16)21-15-22-18/h13,15-16H,3-12,14H2,1-2H3.
What are the key properties of 9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-cyclopropylpyrimidin-4-yl)-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 2.12, 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-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70764439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).