3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C18H28N4O — CID 131646676

IUPAC3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2
InChIInChI=1S/C18H28N4O/c1-21-9-5-18(6-10-21)11-16(13-23-12-15-3-4-15)22(14-18)17-19-7-2-8-20-17/h2,7-8,15-16H,3-6,9-14H2,1H3
InChIKeyYOZVCDIQCKBCPG-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.19
Rot. Bonds5

About 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 131646676) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID131646676
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2
InChIInChI=1S/C18H28N4O/c1-21-9-5-18(6-10-21)11-16(13-23-12-15-3-4-15)22(14-18)17-19-7-2-8-20-17/h2,7-8,15-16H,3-6,9-14H2,1H3
InChIKeyYOZVCDIQCKBCPG-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 131646676) is 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CC(COCC1CC1)N(c1ncccn1)C2.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YOZVCDIQCKBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-9-5-18(6-10-21)11-16(13-23-12-15-3-4-15)22(14-18)17-19-7-2-8-20-17/h2,7-8,15-16H,3-6,9-14H2,1H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 316.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-methyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131646676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).