5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136842966

IUPAC5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN[C@@H](C)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-5-14(4-3-11-7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyJRLGOHQRUQOKML-ZETCQYMHSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds2

About 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136842966) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136842966
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN[C@@H](C)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-5-14(4-3-11-7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyJRLGOHQRUQOKML-ZETCQYMHSA-N
XLogP-0.42
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (CID 136842966) is 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is COc1c(N2CCN[C@@H](C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JRLGOHQRUQOKML-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-5-14(4-3-11-7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)/t7-/m0/s1.
What are the key properties of 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136842966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).