4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one

C12H20N4O — CID 137078249

IUPAC4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCNC[C@H]2C)n1
InChIInChI=1S/C12H20N4O/c1-3-10-6-12(17)15-11(14-10)8-16-5-4-13-7-9(16)2/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,15,17)/t9-/m1/s1
InChIKeyYAXDKINLNYTBBL-SECBINFHSA-N
MW236.32 g/mol
LogP0.13
Rot. Bonds3

About 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 137078249) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID137078249
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCNC[C@H]2C)n1
InChIInChI=1S/C12H20N4O/c1-3-10-6-12(17)15-11(14-10)8-16-5-4-13-7-9(16)2/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,15,17)/t9-/m1/s1
InChIKeyYAXDKINLNYTBBL-SECBINFHSA-N
XLogP0.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one (CID 137078249) is 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2CCNC[C@H]2C)n1.
What is the InChIKey of 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is YAXDKINLNYTBBL-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-6-12(17)15-11(14-10)8-16-5-4-13-7-9(16)2/h6,9,13H,3-5,7-8H2,1-2H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137078249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).