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

C10H16N4O — CID 67216931

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(Cc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)8-9-11-3-2-10(15)12-9/h2-3H,4-8H2,1H3,(H,11,12,15)
InChIKeyMBQFLSPSLDNIDR-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.48
Rot. Bonds2

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

2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 67216931) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
PubChem CID67216931
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(Cc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)8-9-11-3-2-10(15)12-9/h2-3H,4-8H2,1H3,(H,11,12,15)
InChIKeyMBQFLSPSLDNIDR-UHFFFAOYSA-N
XLogP-0.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one (CID 67216931) is 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one is CN1CCN(Cc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is MBQFLSPSLDNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)8-9-11-3-2-10(15)12-9/h2-3H,4-8H2,1H3,(H,11,12,15).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 67216931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).