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

C12H21N5O — CID 114206246

IUPAC5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C12H21N5O/c1-3-13-8-10-9-14-12(15-11(10)18)17-6-4-16(2)5-7-17/h9,13H,3-8H2,1-2H3,(H,14,15,18)
InChIKeyLLRICPBDPCJBBR-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.37
Rot. Bonds4

About 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 114206246) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID114206246
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C12H21N5O/c1-3-13-8-10-9-14-12(15-11(10)18)17-6-4-16(2)5-7-17/h9,13H,3-8H2,1-2H3,(H,14,15,18)
InChIKeyLLRICPBDPCJBBR-UHFFFAOYSA-N
XLogP-0.37
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 114206246) is 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCNCc1cnc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LLRICPBDPCJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-13-8-10-9-14-12(15-11(10)18)17-6-4-16(2)5-7-17/h9,13H,3-8H2,1-2H3,(H,14,15,18).
What are the key properties of 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).