4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol

C22H32N6O2 — CID 3053195

IUPAC4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESCc1cc(N2CCN(Cc3cnc(C)c(O)c3CO)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3
InChIKeyBQXBSBWRGDRWTA-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.00
Rot. Bonds5

About 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol

4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol (PubChem CID 3053195) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol
PubChem CID3053195
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol
SMILESCc1cc(N2CCN(Cc3cnc(C)c(O)c3CO)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3
InChIKeyBQXBSBWRGDRWTA-UHFFFAOYSA-N
XLogP2.00
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol (CID 3053195) is 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol is Cc1cc(N2CCN(Cc3cnc(C)c(O)c3CO)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol?
The InChIKey is BQXBSBWRGDRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-16-12-20(25-22(24-16)28-6-4-3-5-7-28)27-10-8-26(9-11-27)14-18-13-23-17(2)21(30)19(18)15-29/h12-13,29-30H,3-11,14-15H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol?
4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol has a molecular weight of 412.54 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methyl-5-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 3053195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).