4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol

C17H22N4O3 — CID 56743986

IUPAC4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1ncccc1Oc1ncnc(N2CCC(O)(CO)CC2)c1C
InChIInChI=1S/C17H22N4O3/c1-12-15(21-8-5-17(23,10-22)6-9-21)19-11-20-16(12)24-14-4-3-7-18-13(14)2/h3-4,7,11,22-23H,5-6,8-10H2,1-2H3
InChIKeyOFRUONCSHCUDRX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.60
Rot. Bonds4

About 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol

4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56743986) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol
PubChem CID56743986
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1ncccc1Oc1ncnc(N2CCC(O)(CO)CC2)c1C
InChIInChI=1S/C17H22N4O3/c1-12-15(21-8-5-17(23,10-22)6-9-21)19-11-20-16(12)24-14-4-3-7-18-13(14)2/h3-4,7,11,22-23H,5-6,8-10H2,1-2H3
InChIKeyOFRUONCSHCUDRX-UHFFFAOYSA-N
XLogP1.60
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol (CID 56743986) is 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol is Cc1ncccc1Oc1ncnc(N2CCC(O)(CO)CC2)c1C.
What is the InChIKey of 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is OFRUONCSHCUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-15(21-8-5-17(23,10-22)6-9-21)19-11-20-16(12)24-14-4-3-7-18-13(14)2/h3-4,7,11,22-23H,5-6,8-10H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol?
4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 330.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56743986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).