2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C15H22N4O — CID 97392847

IUPAC2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC3(CN(C[C@@H]4CCOC4)C3)C2)nc1
InChIInChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2/t13-/m0/s1
InChIKeyLTLBKVHSKUGBQP-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.03
Rot. Bonds3

About 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97392847) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97392847
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESc1cnc(N2CCC3(CN(C[C@@H]4CCOC4)C3)C2)nc1
InChIInChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2/t13-/m0/s1
InChIKeyLTLBKVHSKUGBQP-ZDUSSCGKSA-N
XLogP1.03
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane with MolForge

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Related Compounds

9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
1-(oxolan-3-ylmethyl)-1'-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 134073239

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 97392847) is 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is c1cnc(N2CCC3(CN(C[C@@H]4CCOC4)C3)C2)nc1.
What is the InChIKey of 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is LTLBKVHSKUGBQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-14(17-5-1)19-6-3-15(12-19)10-18(11-15)8-13-2-7-20-9-13/h1,4-5,13H,2-3,6-12H2/t13-/m0/s1.
What are the key properties of 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 274.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97392847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).