5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

C12H20N4O2 — CID 137009197

IUPAC5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C(C)C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)15-4-6-16(7-5-15)11-10(18-3)12(17)14-8-13-11/h8-9H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKKROQYQUOZTCCI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.31
Rot. Bonds3

About 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one

5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009197) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009197
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C(C)C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)15-4-6-16(7-5-15)11-10(18-3)12(17)14-8-13-11/h8-9H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKKROQYQUOZTCCI-UHFFFAOYSA-N
XLogP0.31
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136972830
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanethioamide
CID 136973229
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979735
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137005106
5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978862

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 137009197) is 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCN(C(C)C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KKROQYQUOZTCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)15-4-6-16(7-5-15)11-10(18-3)12(17)14-8-13-11/h8-9H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).