2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H33N5O — CID 70733988

IUPAC2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1
InChIInChI=1S/C20H33N5O/c1-4-5-17-14-21-16-22-19(17)24-10-8-20(9-11-24)7-6-18(26)25(15-20)13-12-23(2)3/h14,16H,4-13,15H2,1-3H3
InChIKeyZDBKOOPACBFKMR-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70733988) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70733988
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1
InChIInChI=1S/C20H33N5O/c1-4-5-17-14-21-16-22-19(17)24-10-8-20(9-11-24)7-6-18(26)25(15-20)13-12-23(2)3/h14,16H,4-13,15H2,1-3H3
InChIKeyZDBKOOPACBFKMR-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70733988) is 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1cncnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZDBKOOPACBFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-5-17-14-21-16-22-19(17)24-10-8-20(9-11-24)7-6-18(26)25(15-20)13-12-23(2)3/h14,16H,4-13,15H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.52 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70733988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).