1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol

C20H24N4O — CID 167800489

IUPAC1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3ccc4c(c3)C3(CC3)CNC4)cn2)CC1
InChIInChI=1S/C20H24N4O/c25-17-3-7-24(8-4-17)19-22-11-16(12-23-19)14-1-2-15-10-21-13-20(5-6-20)18(15)9-14/h1-2,9,11-12,17,21,25H,3-8,10,13H2
InChIKeyPLJHPWZPVQYFBO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.24
Rot. Bonds2

About 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol

1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol (PubChem CID 167800489) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol
PubChem CID167800489
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3ccc4c(c3)C3(CC3)CNC4)cn2)CC1
InChIInChI=1S/C20H24N4O/c25-17-3-7-24(8-4-17)19-22-11-16(12-23-19)14-1-2-15-10-21-13-20(5-6-20)18(15)9-14/h1-2,9,11-12,17,21,25H,3-8,10,13H2
InChIKeyPLJHPWZPVQYFBO-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol with MolForge

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Related Compounds

1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167978285
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
CID 53415334
1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455
1-[5-(1,3-benzothiazol-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167985106
1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
CID 166247347
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
(3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 146537191
1-[5-[3-[(1S)-1-[[6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperidin-4-ol
CID 70978250
2-fluoro-5-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]benzoic acid
CID 167853631
2-(4-hydroxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 75537930

Frequently Asked Questions

What is the IUPAC name of 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol (CID 167800489) is 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol is OC1CCN(c2ncc(-c3ccc4c(c3)C3(CC3)CNC4)cn2)CC1.
What is the InChIKey of 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol?
The InChIKey is PLJHPWZPVQYFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-17-3-7-24(8-4-17)19-22-11-16(12-23-19)14-1-2-15-10-21-13-20(5-6-20)18(15)9-14/h1-2,9,11-12,17,21,25H,3-8,10,13H2.
What are the key properties of 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol?
1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol has a molecular weight of 336.44 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-ylpyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 167800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).