(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C21H28N4O2 — CID 155506874

IUPAC(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCCc1cnc(N)nc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2
InChIInChI=1S/C21H28N4O2/c1-2-15-14-23-20(22)24-19(15)25-10-8-21(9-11-25)13-17(26)12-18(27-21)16-6-4-3-5-7-16/h3-7,14,17-18,26H,2,8-13H2,1H3,(H2,22,23,24)/t17-,18-/m1/s1
InChIKeyDWFFTEUSLGGIMP-QZTJIDSGSA-N
MW368.48 g/mol
LogP2.87
Rot. Bonds3

About (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 155506874) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID155506874
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCCc1cnc(N)nc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2
InChIInChI=1S/C21H28N4O2/c1-2-15-14-23-20(22)24-19(15)25-10-8-21(9-11-25)13-17(26)12-18(27-21)16-6-4-3-5-7-16/h3-7,14,17-18,26H,2,8-13H2,1H3,(H2,22,23,24)/t17-,18-/m1/s1
InChIKeyDWFFTEUSLGGIMP-QZTJIDSGSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-9-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154563738
(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566317
(2R,4R)-9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506554
(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567588
2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 154563342
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
CID 72890235
(2R,4R)-9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564842
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 72879539
1-[2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]pyrimidin-2-one
CID 154816484
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 155506874) is (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is CCc1cnc(N)nc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2.
What is the InChIKey of (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is DWFFTEUSLGGIMP-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-15-14-23-20(22)24-19(15)25-10-8-21(9-11-25)13-17(26)12-18(27-21)16-6-4-3-5-7-16/h3-7,14,17-18,26H,2,8-13H2,1H3,(H2,22,23,24)/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 368.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 155506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).