[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol

C18H19N3O2 — CID 164633507

IUPAC[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1
InChIInChI=1S/C18H19N3O2/c22-12-15-7-10-19-17(20-15)21-11-3-8-18(13-21)9-6-14-4-1-2-5-16(14)23-18/h1-2,4-7,9-10,22H,3,8,11-13H2/t18-/m1/s1
InChIKeyADQQXEKLMRBIAV-GOSISDBHSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds2

About [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol

[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol (PubChem CID 164633507) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol
PubChem CID164633507
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1
InChIInChI=1S/C18H19N3O2/c22-12-15-7-10-19-17(20-15)21-11-3-8-18(13-21)9-6-14-4-1-2-5-16(14)23-18/h1-2,4-7,9-10,22H,3,8,11-13H2/t18-/m1/s1
InChIKeyADQQXEKLMRBIAV-GOSISDBHSA-N
XLogP2.41
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]
CID 146140748
[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376
[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
CID 175849457
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]spiro[azepane-4,2'-chromene]
CID 50952558
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
2-spiro[chromene-2,4'-piperidine]-1'-ylethanamine
CID 82046760
1'-benzylspiro[chromene-2,4'-piperidine]
CID 12887958
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
CID 136531931
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol (CID 164633507) is [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol is OCc1ccnc(N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1.
What is the InChIKey of [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol?
The InChIKey is ADQQXEKLMRBIAV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-12-15-7-10-19-17(20-15)21-11-3-8-18(13-21)9-6-14-4-1-2-5-16(14)23-18/h1-2,4-7,9-10,22H,3,8,11-13H2/t18-/m1/s1.
What are the key properties of [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol?
[2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-spiro[chromene-2,3'-piperidine]-1'-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 164633507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).