6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C12H20N4O2 — CID 59755520

IUPAC6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1
InChIInChI=1S/C12H20N4O2/c1-3-10-9(11(17)14-12(18)13-10)8-16-6-4-15(2)5-7-16/h3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyQYEQKKLXKUKYBF-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.63
Rot. Bonds3

About 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 59755520) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID59755520
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1
InChIInChI=1S/C12H20N4O2/c1-3-10-9(11(17)14-12(18)13-10)8-16-6-4-15(2)5-7-16/h3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyQYEQKKLXKUKYBF-UHFFFAOYSA-N
XLogP-0.63
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 59755520) is 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is CCc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1.
What is the InChIKey of 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QYEQKKLXKUKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-10-9(11(17)14-12(18)13-10)8-16-6-4-15(2)5-7-16/h3-8H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 59755520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).