6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione

C11H16N6O2 — CID 61212414

IUPAC6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1ccnc1CCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O2/c1-16-6-5-13-7(16)3-4-14-8-9(12)17(2)11(19)15-10(8)18/h5-6,14H,3-4,12H2,1-2H3,(H,15,18,19)
InChIKeyDSTWRGOESIOCII-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.96
Rot. Bonds4

About 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 61212414) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID61212414
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione
SMILESCn1ccnc1CCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O2/c1-16-6-5-13-7(16)3-4-14-8-9(12)17(2)11(19)15-10(8)18/h5-6,14H,3-4,12H2,1-2H3,(H,15,18,19)
InChIKeyDSTWRGOESIOCII-UHFFFAOYSA-N
XLogP-0.96
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione (CID 61212414) is 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione is Cn1ccnc1CCNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is DSTWRGOESIOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-16-6-5-13-7(16)3-4-14-8-9(12)17(2)11(19)15-10(8)18/h5-6,14H,3-4,12H2,1-2H3,(H,15,18,19).
What are the key properties of 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 264.29 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 61212414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).