6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione

C13H16N4O4 — CID 10827470

IUPAC6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)CCCn2ccnc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-15-11(19)10(12(20)16(2)13(15)21)9(18)4-3-6-17-7-5-14-8-17/h5,7-8,19H,3-4,6H2,1-2H3
InChIKeyNBVZXZQQBJZCSO-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.35
Rot. Bonds5

About 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 10827470) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID10827470
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)CCCn2ccnc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-15-11(19)10(12(20)16(2)13(15)21)9(18)4-3-6-17-7-5-14-8-17/h5,7-8,19H,3-4,6H2,1-2H3
InChIKeyNBVZXZQQBJZCSO-UHFFFAOYSA-N
XLogP-0.35
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 10827470) is 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C(=O)CCCn2ccnc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NBVZXZQQBJZCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-15-11(19)10(12(20)16(2)13(15)21)9(18)4-3-6-17-7-5-14-8-17/h5,7-8,19H,3-4,6H2,1-2H3.
What are the key properties of 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 292.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(4-imidazol-1-ylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10827470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).