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

C19H28N6O2 — CID 99946688

IUPAC4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2cnc(NC[C@H]3CCCO3)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)/t17-/m1/s1
InChIKeyZVAGXPNUXSPKAL-QGZVFWFLSA-N
MW372.47 g/mol
LogP1.29
Rot. Bonds7

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

4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol (PubChem CID 99946688) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
PubChem CID99946688
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2cnc(NC[C@H]3CCCO3)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)/t17-/m1/s1
InChIKeyZVAGXPNUXSPKAL-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol (CID 99946688) is 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol is OC1(Cn2ccnc2)CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol?
The InChIKey is ZVAGXPNUXSPKAL-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]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-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 99946688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).