6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione

C12H16N4O4 — CID 127036149

IUPAC6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c1-3-4-6(7-5(2)15-16-11(7)19)8-9(17)13-12(20)14-10(8)18/h6H,3-4H2,1-2H3,(H2,15,16,19)(H3,13,14,17,18,20)/t6-/m1/s1
InChIKeyIJVNYKRSABDAAL-ZCFIWIBFSA-N
MW280.28 g/mol
LogP0.03
Rot. Bonds4

About 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione (PubChem CID 127036149) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione
PubChem CID127036149
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O4/c1-3-4-6(7-5(2)15-16-11(7)19)8-9(17)13-12(20)14-10(8)18/h6H,3-4H2,1-2H3,(H2,15,16,19)(H3,13,14,17,18,20)/t6-/m1/s1
InChIKeyIJVNYKRSABDAAL-ZCFIWIBFSA-N
XLogP0.03
TPSA134.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

diethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]propanedioate
CID 123807002
6-hydroxy-5-[(1S)-3-oxo-1-phenylpentyl]-1H-pyrimidine-2,4-dione
CID 29178161
5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3623956
diethyl-[(4-fluorophenyl)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]azanium
CID 3623951
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
5-butylsulfonyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 54522737
4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one
CID 145200687
4-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3154664
6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 91464890
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-propoxyphenyl)methyl]-1,2-dihydropyrazol-3-one
CID 91962742
methyl (3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 96556711

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione (CID 127036149) is 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione is CCC[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IJVNYKRSABDAAL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-3-4-6(7-5(2)15-16-11(7)19)8-9(17)13-12(20)14-10(8)18/h6H,3-4H2,1-2H3,(H2,15,16,19)(H3,13,14,17,18,20)/t6-/m1/s1.
What are the key properties of 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of 0.03, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1R)-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)butyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127036149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).