(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

C22H28N4O2 — CID 154563738

IUPAC(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
SMILESNc1nc2c(c(N3CCC4(CC3)C[C@H](O)C[C@H](c3ccccc3)O4)n1)CCC2
InChIInChI=1S/C22H28N4O2/c23-21-24-18-8-4-7-17(18)20(25-21)26-11-9-22(10-12-26)14-16(27)13-19(28-22)15-5-2-1-3-6-15/h1-3,5-6,16,19,27H,4,7-14H2,(H2,23,24,25)/t16-,19-/m1/s1
InChIKeyCNOPEOGPWRVWTQ-VQIMIIECSA-N
MW380.49 g/mol
LogP2.80
Rot. Bonds2

About (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

(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 (PubChem CID 154563738) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154563738
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(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
SMILESNc1nc2c(c(N3CCC4(CC3)C[C@H](O)C[C@H](c3ccccc3)O4)n1)CCC2
InChIInChI=1S/C22H28N4O2/c23-21-24-18-8-4-7-17(18)20(25-21)26-11-9-22(10-12-26)14-16(27)13-19(28-22)15-5-2-1-3-6-15/h1-3,5-6,16,19,27H,4,7-14H2,(H2,23,24,25)/t16-,19-/m1/s1
InChIKeyCNOPEOGPWRVWTQ-VQIMIIECSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
(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-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566317
(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567588
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 154563342
(4-hydroxy-1-methylpiperidin-4-yl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154821214
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 97188114
1,3-benzodioxol-5-yl-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154567466
(3-fluoro-4-hydroxyphenyl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154818101

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Nc1nc2c(c(N3CCC4(CC3)C[C@H](O)C[C@H](c3ccccc3)O4)n1)CCC2.
What is the InChIKey of (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?
The InChIKey is CNOPEOGPWRVWTQ-VQIMIIECSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-21-24-18-8-4-7-17(18)20(25-21)26-11-9-22(10-12-26)14-16(27)13-19(28-22)15-5-2-1-3-6-15/h1-3,5-6,16,19,27H,4,7-14H2,(H2,23,24,25)/t16-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 380.49 g/mol, XLogP of 2.80, 2 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-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154563738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).