4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H19N5O — CID 135978265

IUPAC4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-12-8-9-7-10(17)14-11(13-9)16-5-3-15(2)4-6-16/h7,12H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyRGIJXMQAEFGUDP-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.76
Rot. Bonds3

About 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135978265) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135978265
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-12-8-9-7-10(17)14-11(13-9)16-5-3-15(2)4-6-16/h7,12H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyRGIJXMQAEFGUDP-UHFFFAOYSA-N
XLogP-0.76
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135978265) is 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RGIJXMQAEFGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-12-8-9-7-10(17)14-11(13-9)16-5-3-15(2)4-6-16/h7,12H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).