1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione

C10H12N4O2 — CID 79777847

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1nccc(CN2CCC(=O)NC2=O)n1
InChIInChI=1S/C10H12N4O2/c1-7-11-4-2-8(12-7)6-14-5-3-9(15)13-10(14)16/h2,4H,3,5-6H2,1H3,(H,13,15,16)
InChIKeyDOBQFKGROTTWNJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.23
Rot. Bonds2

About 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione

1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 79777847) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID79777847
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1nccc(CN2CCC(=O)NC2=O)n1
InChIInChI=1S/C10H12N4O2/c1-7-11-4-2-8(12-7)6-14-5-3-9(15)13-10(14)16/h2,4H,3,5-6H2,1H3,(H,13,15,16)
InChIKeyDOBQFKGROTTWNJ-UHFFFAOYSA-N
XLogP0.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione (CID 79777847) is 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione is Cc1nccc(CN2CCC(=O)NC2=O)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is DOBQFKGROTTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-11-4-2-8(12-7)6-14-5-3-9(15)13-10(14)16/h2,4H,3,5-6H2,1H3,(H,13,15,16).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione?
1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).