(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

C17H23F3N4O2 — CID 97133670

IUPAC(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3nccc(C(F)(F)F)n3)C2)CN1CCCO
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)13-4-7-21-15(22-13)24-8-1-5-16(12-24)6-3-14(26)23(11-16)9-2-10-25/h4,7,25H,1-3,5-6,8-12H2/t16-/m0/s1
InChIKeyVJAWBTQWHKFONO-INIZCTEOSA-N
MW372.39 g/mol
LogP2.09
Rot. Bonds4

About (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97133670) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97133670
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3nccc(C(F)(F)F)n3)C2)CN1CCCO
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)13-4-7-21-15(22-13)24-8-1-5-16(12-24)6-3-14(26)23(11-16)9-2-10-25/h4,7,25H,1-3,5-6,8-12H2/t16-/m0/s1
InChIKeyVJAWBTQWHKFONO-INIZCTEOSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70780884
(6R)-2-(3-hydroxypropyl)-8-[4-methyl-6-(methylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579032
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
CID 70771539
(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571260
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
3-ethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 64586238
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97133670) is (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(c3nccc(C(F)(F)F)n3)C2)CN1CCCO.
What is the InChIKey of (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VJAWBTQWHKFONO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)13-4-7-21-15(22-13)24-8-1-5-16(12-24)6-3-14(26)23(11-16)9-2-10-25/h4,7,25H,1-3,5-6,8-12H2/t16-/m0/s1.
What are the key properties of (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97133670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).