6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione

C9H12N4O2 — CID 20668500

IUPAC6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CN2C=NCC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-6-7(4-13-3-2-10-5-13)11-9(15)12-8(6)14/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyAHGJTNXOYFWPLN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.78
Rot. Bonds2

About 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20668500) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID20668500
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CN2C=NCC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-6-7(4-13-3-2-10-5-13)11-9(15)12-8(6)14/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyAHGJTNXOYFWPLN-UHFFFAOYSA-N
XLogP-0.78
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 20668500) is 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CN2C=NCC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AHGJTNXOYFWPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-7(4-13-3-2-10-5-13)11-9(15)12-8(6)14/h5H,2-4H2,1H3,(H2,11,12,14,15).
What are the key properties of 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydroimidazol-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20668500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).