4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol

C12H20N4O — CID 174498025

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol
SMILESCC(C)CN1CCN(c2ncncc2O)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)8-15-3-5-16(6-4-15)12-11(17)7-13-9-14-12/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyMIOVZXMYTWUYNQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds3

About 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol

4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol (PubChem CID 174498025) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol
PubChem CID174498025
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol
SMILESCC(C)CN1CCN(c2ncncc2O)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)8-15-3-5-16(6-4-15)12-11(17)7-13-9-14-12/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyMIOVZXMYTWUYNQ-UHFFFAOYSA-N
XLogP0.96
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol (CID 174498025) is 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol is CC(C)CN1CCN(c2ncncc2O)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol?
The InChIKey is MIOVZXMYTWUYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)8-15-3-5-16(6-4-15)12-11(17)7-13-9-14-12/h7,9-10,17H,3-6,8H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol?
4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol has a molecular weight of 236.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-5-ol is sourced from PubChem (CID 174498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).