(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C16H24N4O — CID 124805168

IUPAC(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC[C@H](CN4CCCC4)CO3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)10-14-4-5-16(21-11-14)12-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1
InChIKeyYUPGQWHYCNFBJY-CQSZACIVSA-N
MW288.39 g/mol
LogP1.56
Rot. Bonds3

About (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124805168) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124805168
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC[C@H](CN4CCCC4)CO3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)10-14-4-5-16(21-11-14)12-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1
InChIKeyYUPGQWHYCNFBJY-CQSZACIVSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779919
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
7-(morpholin-4-ylmethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155833159
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
(7R)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827810
(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827811
(3R,5R)-7-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 124520018
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959

Frequently Asked Questions

What is the IUPAC name of (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124805168) is (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is c1cnc(N2CC3(CC[C@H](CN4CCCC4)CO3)C2)nc1.
What is the InChIKey of (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YUPGQWHYCNFBJY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-9-19(8-1)10-14-4-5-16(21-11-14)12-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1.
What are the key properties of (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 288.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124805168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).