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

C11H18N4O2 — CID 4737456

IUPAC6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1
InChIInChI=1S/C11H18N4O2/c1-8-9(10(16)13-11(17)12-8)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyXFFOFZRSNQUBJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.88
Rot. Bonds2

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

6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 4737456) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID4737456
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1
InChIInChI=1S/C11H18N4O2/c1-8-9(10(16)13-11(17)12-8)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyXFFOFZRSNQUBJJ-UHFFFAOYSA-N
XLogP-0.88
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 4737456) is 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CN1CCN(C)CC1.
What is the InChIKey of 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XFFOFZRSNQUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(10(16)13-11(17)12-8)7-15-5-3-14(2)4-6-15/h3-7H2,1-2H3,(H2,12,13,16,17).
What are the key properties of 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4737456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).