(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C16H24N4O2 — CID 95400903

IUPAC(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccnc(N3CCC4(CCCO4)CC3)n2)C1
InChIInChI=1S/C16H24N4O2/c21-13-3-8-20(12-13)14-2-7-17-15(18-14)19-9-5-16(6-10-19)4-1-11-22-16/h2,7,13,21H,1,3-6,8-12H2/t13-/m0/s1
InChIKeySVEFHPOBFGQAKF-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.20
Rot. Bonds2

About (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol

(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 95400903) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID95400903
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccnc(N3CCC4(CCCO4)CC3)n2)C1
InChIInChI=1S/C16H24N4O2/c21-13-3-8-20(12-13)14-2-7-17-15(18-14)19-9-5-16(6-10-19)4-1-11-22-16/h2,7,13,21H,1,3-6,8-12H2/t13-/m0/s1
InChIKeySVEFHPOBFGQAKF-ZDUSSCGKSA-N
XLogP1.20
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 95400903) is (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol is O[C@H]1CCN(c2ccnc(N3CCC4(CCCO4)CC3)n2)C1.
What is the InChIKey of (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is SVEFHPOBFGQAKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-13-3-8-20(12-13)14-2-7-17-15(18-14)19-9-5-16(6-10-19)4-1-11-22-16/h2,7,13,21H,1,3-6,8-12H2/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 304.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 95400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).