4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one

C16H22N4O4 — CID 3417097

IUPAC4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC(Cc1c(O)nc(C)[nH]c1=O)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C16H22N4O4/c1-4-5-10(6-11-13(21)17-8(2)18-14(11)22)7-12-15(23)19-9(3)20-16(12)24/h10H,4-7H2,1-3H3,(H2,17,18,21,22)(H2,19,20,23,24)
InChIKeyNGPOODXCHZQHQT-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.08
Rot. Bonds6

About 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 3417097) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID3417097
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCC(Cc1c(O)nc(C)[nH]c1=O)Cc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C16H22N4O4/c1-4-5-10(6-11-13(21)17-8(2)18-14(11)22)7-12-15(23)19-9(3)20-16(12)24/h10H,4-7H2,1-3H3,(H2,17,18,21,22)(H2,19,20,23,24)
InChIKeyNGPOODXCHZQHQT-UHFFFAOYSA-N
XLogP1.08
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
CID 44513469
6-Amino-2-methyl-5-(2-(piperidin-4-YL)ethyl)pyrimidin-4-OL
CID 137133023
4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid
CID 137133027
4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one
CID 137315398
2-Methyl-5-[1,4,4-tris(4,6-dihydroxy-2-methylpyrimidin-5-yl)butyl]pyrimidine-4,6-diol
CID 3379036
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)ethyl]-2-methylpyrimidine-4,6-diol
CID 3477793
6-Hydroxy-5-{2-[(6-hydroxy-2-methyl-4-oxo(3-hydropyrimidin-5-yl))methyl]-3-met hylbutyl}-2-methyl-3-hydropyrimidin-4-one
CID 4070642
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)pentyl]-2-methylpyrimidine-4,6-diol
CID 4442744
5-cyclopentyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 25421330
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415
5-cyclopentyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734457

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one (CID 3417097) is 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one is CCCC(Cc1c(O)nc(C)[nH]c1=O)Cc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NGPOODXCHZQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-4-5-10(6-11-13(21)17-8(2)18-14(11)22)7-12-15(23)19-9(3)20-16(12)24/h10H,4-7H2,1-3H3,(H2,17,18,21,22)(H2,19,20,23,24).
What are the key properties of 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 334.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]pentyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3417097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).