9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C18H28N4O — CID 118745309

IUPAC9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CCN(CC4CCOC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4O/c1-4-18(15-22(9-1)17-19-7-2-8-20-17)5-10-21(11-6-18)13-16-3-12-23-14-16/h2,7-8,16H,1,3-6,9-15H2
InChIKeyUKJHMUGPWNQPSM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.20
Rot. Bonds3

About 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 118745309) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID118745309
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CCN(CC4CCOC4)CC3)C2)nc1
InChIInChI=1S/C18H28N4O/c1-4-18(15-22(9-1)17-19-7-2-8-20-17)5-10-21(11-6-18)13-16-3-12-23-14-16/h2,7-8,16H,1,3-6,9-15H2
InChIKeyUKJHMUGPWNQPSM-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124805168
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283

Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 118745309) is 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is c1cnc(N2CCCC3(CCN(CC4CCOC4)CC3)C2)nc1.
What is the InChIKey of 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is UKJHMUGPWNQPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-18(15-22(9-1)17-19-7-2-8-20-17)5-10-21(11-6-18)13-16-3-12-23-14-16/h2,7-8,16H,1,3-6,9-15H2.
What are the key properties of 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 316.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118745309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).