(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol

C14H21FN4O2 — CID 97120610

IUPAC(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCN(C)c1nc(N2CCC3(CC2)C[C@@H](O)CO3)ncc1F
InChIInChI=1S/C14H21FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19-5-3-14(4-6-19)7-10(20)9-21-14/h8,10,20H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyNNTYUQPMCBQQPR-SNVBAGLBSA-N
MW296.35 g/mol
LogP0.80
Rot. Bonds2

About (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol

(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 97120610) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID97120610
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCN(C)c1nc(N2CCC3(CC2)C[C@@H](O)CO3)ncc1F
InChIInChI=1S/C14H21FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19-5-3-14(4-6-19)7-10(20)9-21-14/h8,10,20H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyNNTYUQPMCBQQPR-SNVBAGLBSA-N
XLogP0.80
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol with MolForge

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Related Compounds

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
3-Ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118740760
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
(4S)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72896274
(3R*,4R*)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
CID 70781277
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72859671
8-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 72864148
9-[5-Fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72881088
9-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72886412
5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]dec-9-yl)pyrimidin-4-amine
CID 72913437
9-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72920902
2-[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692076

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 97120610) is (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol is CN(C)c1nc(N2CCC3(CC2)C[C@@H](O)CO3)ncc1F.
What is the InChIKey of (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is NNTYUQPMCBQQPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-18(2)12-11(15)8-16-13(17-12)19-5-3-14(4-6-19)7-10(20)9-21-14/h8,10,20H,3-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 296.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 97120610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).