6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C13H20N4O2 — CID 2512859

IUPAC6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(NC2=NCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)8-17-11(15-10-5-4-6-14-10)7-12(18)16(3)13(17)19/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyGEYGGEPYNCEXOR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.81
Rot. Bonds3

About 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 2512859) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID2512859
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(NC2=NCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)8-17-11(15-10-5-4-6-14-10)7-12(18)16(3)13(17)19/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyGEYGGEPYNCEXOR-UHFFFAOYSA-N
XLogP0.81
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 2512859) is 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(NC2=NCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is GEYGGEPYNCEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)8-17-11(15-10-5-4-6-14-10)7-12(18)16(3)13(17)19/h7,9H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2512859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).