5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione

C10H14N2O5 — CID 6450963

IUPAC5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
SMILESCc1cn(/C=C/[C@H](O)[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-6-4-12(10(17)11-9(6)16)3-2-7(14)8(15)5-13/h2-4,7-8,13-15H,5H2,1H3,(H,11,16,17)/b3-2+/t7-,8+/m0/s1
InChIKeyUVYVDIMWTLSDFQ-RIAPOHOLSA-N
MW242.23 g/mol
LogP-1.97
Rot. Bonds4

About 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione

5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione (PubChem CID 6450963) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
PubChem CID6450963
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
SMILESCc1cn(/C=C/[C@H](O)[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-6-4-12(10(17)11-9(6)16)3-2-7(14)8(15)5-13/h2-4,7-8,13-15H,5H2,1H3,(H,11,16,17)/b3-2+/t7-,8+/m0/s1
InChIKeyUVYVDIMWTLSDFQ-RIAPOHOLSA-N
XLogP-1.97
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione (CID 6450963) is 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione is Cc1cn(/C=C/[C@H](O)[C@H](O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione?
The InChIKey is UVYVDIMWTLSDFQ-RIAPOHOLSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6-4-12(10(17)11-9(6)16)3-2-7(14)8(15)5-13/h2-4,7-8,13-15H,5H2,1H3,(H,11,16,17)/b3-2+/t7-,8+/m0/s1.
What are the key properties of 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione?
5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6450963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).