4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol

C19H28N6O2 — CID 77093164

IUPAC4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C19H28N6O2/c26-19(14-25-8-5-20-15-25)3-6-24(7-4-19)13-16-10-21-18(22-11-16)23-12-17-2-1-9-27-17/h5,8,10-11,15,17,26H,1-4,6-7,9,12-14H2,(H,21,22,23)
InChIKeyZVAGXPNUXSPKAL-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.29
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol (PubChem CID 77093164) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
PubChem CID77093164
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C19H28N6O2/c26-19(14-25-8-5-20-15-25)3-6-24(7-4-19)13-16-10-21-18(22-11-16)23-12-17-2-1-9-27-17/h5,8,10-11,15,17,26H,1-4,6-7,9,12-14H2,(H,21,22,23)
InChIKeyZVAGXPNUXSPKAL-UHFFFAOYSA-N
XLogP1.29
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

N-[[(3S,3aR,7aR)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 97460042
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99940329
5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99946648
4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
CID 99946688
N-(5-fluoropyrimidin-2-yl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134075027
N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 154761137
7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155843852
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]methanamine
CID 167773455
7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 171693755
2-(2-{2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-5-yl}-1H-imidazol-1-yl)ethanol
CID 56755962
N-(oxolan-2-ylmethyl)-5-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)pyrimidin-2-amine
CID 56908527
bis(N-(oxolan-2-ylmethyl)pyrimidin-2-amine);hydrate
CID 69146405

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol (CID 77093164) is 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol is OC1(Cn2ccnc2)CCN(Cc2cnc(NCC3CCCO3)nc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol?
The InChIKey is ZVAGXPNUXSPKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c26-19(14-25-8-5-20-15-25)3-6-24(7-4-19)13-16-10-21-18(22-11-16)23-12-17-2-1-9-27-17/h5,8,10-11,15,17,26H,1-4,6-7,9,12-14H2,(H,21,22,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol has a molecular weight of 372.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 77093164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).