4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C12H20N4O2 — CID 63612628

IUPAC4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)9-10(17)13-12(14-11(9)18)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyKTVHNIPDBIURKE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.35
Rot. Bonds2

About 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63612628) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63612628
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)9-10(17)13-12(14-11(9)18)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyKTVHNIPDBIURKE-UHFFFAOYSA-N
XLogP0.35
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63612628) is 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KTVHNIPDBIURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)9-10(17)13-12(14-11(9)18)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,17,18).
What are the key properties of 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).