6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione

C11H19N3O3 — CID 114139779

IUPAC6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione
SMILESCC(C)N(C)CCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-8(2)13(3)5-4-6-14-10(16)7-9(15)12-11(14)17/h7-8,16H,4-6H2,1-3H3,(H,12,15,17)
InChIKeyQCHZQZZMZVMPRB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.03
Rot. Bonds5

About 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione

6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione (PubChem CID 114139779) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione
PubChem CID114139779
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione
SMILESCC(C)N(C)CCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-8(2)13(3)5-4-6-14-10(16)7-9(15)12-11(14)17/h7-8,16H,4-6H2,1-3H3,(H,12,15,17)
InChIKeyQCHZQZZMZVMPRB-UHFFFAOYSA-N
XLogP-0.03
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)-N,N-dimethylethanesulfonamide
CID 114175413
N-[3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propyl]methanesulfonamide
CID 106338298
1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54109675
decan-3-yl 3-(6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 91316359
6-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-dione
CID 106260066
6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 34175357
N-[2-(6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 113481514
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541462
6-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 113406530
6-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 170923877

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione (CID 114139779) is 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione is CC(C)N(C)CCCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione?
The InChIKey is QCHZQZZMZVMPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(2)13(3)5-4-6-14-10(16)7-9(15)12-11(14)17/h7-8,16H,4-6H2,1-3H3,(H,12,15,17).
What are the key properties of 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione?
6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 114139779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).