9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane

C20H32N4O — CID 45185901

IUPAC9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane
SMILESCOCCc1ncc(CN2CCC3(CCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C20H32N4O/c1-25-10-5-19-21-11-18(12-22-19)14-24-9-7-20(16-24)6-2-8-23(15-20)13-17-3-4-17/h11-12,17H,2-10,13-16H2,1H3
InChIKeyYMUXLZJXHPWBAB-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.36
Rot. Bonds7

About 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45185901) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45185901
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane
SMILESCOCCc1ncc(CN2CCC3(CCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C20H32N4O/c1-25-10-5-19-21-11-18(12-22-19)14-24-9-7-20(16-24)6-2-8-23(15-20)13-17-3-4-17/h11-12,17H,2-10,13-16H2,1H3
InChIKeyYMUXLZJXHPWBAB-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane (CID 45185901) is 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane is COCCc1ncc(CN2CCC3(CCCN(CC4CC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is YMUXLZJXHPWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-25-10-5-19-21-11-18(12-22-19)14-24-9-7-20(16-24)6-2-8-23(15-20)13-17-3-4-17/h11-12,17H,2-10,13-16H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 344.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45185901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).