6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione

C14H17N3O3 — CID 114958046

IUPAC6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(Cc2cnccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-3-4-11-12(18)16-14(20)17(13(11)19)8-10-7-15-6-5-9(10)2/h5-7,19H,3-4,8H2,1-2H3,(H,16,18,20)
InChIKeyJRZSBQCQZLUHDZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.95
Rot. Bonds4

About 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione

6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione (PubChem CID 114958046) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
PubChem CID114958046
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(Cc2cnccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-3-4-11-12(18)16-14(20)17(13(11)19)8-10-7-15-6-5-9(10)2/h5-7,19H,3-4,8H2,1-2H3,(H,16,18,20)
InChIKeyJRZSBQCQZLUHDZ-UHFFFAOYSA-N
XLogP0.95
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione (CID 114958046) is 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione is CCCc1c(O)n(Cc2cnccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is JRZSBQCQZLUHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-4-11-12(18)16-14(20)17(13(11)19)8-10-7-15-6-5-9(10)2/h5-7,19H,3-4,8H2,1-2H3,(H,16,18,20).
What are the key properties of 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione?
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 114958046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).