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

C17H26N4O — CID 131658361

IUPAC3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CC3(CCNCC3)CC2COCC2CC2)nc1
InChIInChI=1S/C17H26N4O/c1-6-19-16(20-7-1)21-13-17(4-8-18-9-5-17)10-15(21)12-22-11-14-2-3-14/h1,6-7,14-15,18H,2-5,8-13H2
InChIKeySMEWFWNVEZHXNG-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.85
Rot. Bonds5

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

3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 131658361) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID131658361
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CC3(CCNCC3)CC2COCC2CC2)nc1
InChIInChI=1S/C17H26N4O/c1-6-19-16(20-7-1)21-13-17(4-8-18-9-5-17)10-15(21)12-22-11-14-2-3-14/h1,6-7,14-15,18H,2-5,8-13H2
InChIKeySMEWFWNVEZHXNG-UHFFFAOYSA-N
XLogP1.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118747096
(3R)-3-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
CID 97418195
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131646590
[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655883
2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131647203
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97375074
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131663585
3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
CID 97474559
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 131658361) is 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is c1cnc(N2CC3(CCNCC3)CC2COCC2CC2)nc1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is SMEWFWNVEZHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-6-19-16(20-7-1)21-13-17(4-8-18-9-5-17)10-15(21)12-22-11-14-2-3-14/h1,6-7,14-15,18H,2-5,8-13H2.
What are the key properties of 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 302.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131658361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).