1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

C12H20N4O2 — CID 82891914

IUPAC1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCN(CCn2c(=O)ccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-13-5-7-15(8-6-13)9-10-16-11(17)3-4-14(2)12(16)18/h3-4H,5-10H2,1-2H3
InChIKeyWCTALDHDPVLWFW-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.21
Rot. Bonds3

About 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 82891914) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID82891914
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCN(CCn2c(=O)ccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-13-5-7-15(8-6-13)9-10-16-11(17)3-4-14(2)12(16)18/h3-4H,5-10H2,1-2H3
InChIKeyWCTALDHDPVLWFW-UHFFFAOYSA-N
XLogP-1.21
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (CID 82891914) is 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is CN1CCN(CCn2c(=O)ccn(C)c2=O)CC1.
What is the InChIKey of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is WCTALDHDPVLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-13-5-7-15(8-6-13)9-10-16-11(17)3-4-14(2)12(16)18/h3-4H,5-10H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 82891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).