4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one

C12H14N4O3 — CID 102949819

IUPAC4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(OC)ncn2)[nH]c1=O
InChIInChI=1S/C12H14N4O3/c1-3-4-7-11(17)15-10(16-12(7)18)8-5-9(19-2)14-6-13-8/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyCZKKIQKVHXJDRP-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.89
Rot. Bonds4

About 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 102949819) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID102949819
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(OC)ncn2)[nH]c1=O
InChIInChI=1S/C12H14N4O3/c1-3-4-7-11(17)15-10(16-12(7)18)8-5-9(19-2)14-6-13-8/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyCZKKIQKVHXJDRP-UHFFFAOYSA-N
XLogP0.89
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one (CID 102949819) is 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2cc(OC)ncn2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is CZKKIQKVHXJDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-4-7-11(17)15-10(16-12(7)18)8-5-9(19-2)14-6-13-8/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 262.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102949819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).