1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol

C20H28N8O — CID 134707002

IUPAC1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)n2)CC1
InChIInChI=1S/C20H28N8O/c29-16-2-5-27(6-3-16)17-1-4-21-18(24-17)25-19-8-14-7-15(9-19)11-20(10-14,12-19)28-23-13-22-26-28/h1,4,13-16,29H,2-3,5-12H2,(H,21,24,25)
InChIKeyFXGUZYAEZCRKTR-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 134707002) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID134707002
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)n2)CC1
InChIInChI=1S/C20H28N8O/c29-16-2-5-27(6-3-16)17-1-4-21-18(24-17)25-19-8-14-7-15(9-19)11-20(10-14,12-19)28-23-13-22-26-28/h1,4,13-16,29H,2-3,5-12H2,(H,21,24,25)
InChIKeyFXGUZYAEZCRKTR-UHFFFAOYSA-N
XLogP1.58
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67455415
5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
CID 131932506
(4S)-4,6-dimethyl-2-oxo-N-[(5R,7S)-3-(tetrazol-2-yl)-1-adamantyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95215791
6-(4-hydroxypiperidin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358655
3-(2-aminopyrimidin-5-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]prop-2-enamide
CID 171139595
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 70719484
1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
CID 131915588
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 134707002) is 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ccnc(NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)n2)CC1.
What is the InChIKey of 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is FXGUZYAEZCRKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c29-16-2-5-27(6-3-16)17-1-4-21-18(24-17)25-19-8-14-7-15(9-19)11-20(10-14,12-19)28-23-13-22-26-28/h1,4,13-16,29H,2-3,5-12H2,(H,21,24,25).
What are the key properties of 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 396.50 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 134707002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).