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

C20H32N4O2 — CID 70763270

IUPAC2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-4-5-17-21-16(2)14-18(22-17)23-10-8-20(9-11-23)7-6-19(25)24(15-20)12-13-26-3/h14H,4-13,15H2,1-3H3
InChIKeyBBYWNKJEIHVXKF-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.59
Rot. Bonds6

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

2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70763270) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70763270
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-4-5-17-21-16(2)14-18(22-17)23-10-8-20(9-11-23)7-6-19(25)24(15-20)12-13-26-3/h14H,4-13,15H2,1-3H3
InChIKeyBBYWNKJEIHVXKF-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70763270) is 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)n1.
What is the InChIKey of 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BBYWNKJEIHVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-5-17-21-16(2)14-18(22-17)23-10-8-20(9-11-23)7-6-19(25)24(15-20)12-13-26-3/h14H,4-13,15H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70763270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).