6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione

C12H20N4O3 — CID 103725158

IUPAC6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCC(C)(O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-3-5-16-9(13)8(10(17)14-11(16)18)15-6-4-12(2,19)7-15/h19H,3-7,13H2,1-2H3,(H,14,17,18)
InChIKeyDXGRYSMCOKOXGB-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.51
Rot. Bonds3

About 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione

6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione (PubChem CID 103725158) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione
PubChem CID103725158
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCC(C)(O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-3-5-16-9(13)8(10(17)14-11(16)18)15-6-4-12(2,19)7-15/h19H,3-7,13H2,1-2H3,(H,14,17,18)
InChIKeyDXGRYSMCOKOXGB-UHFFFAOYSA-N
XLogP-0.51
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
3,7,9-tripropyl-8H-purine-2,6-dione
CID 141142867
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-1-benzyl-5-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 2426288
6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103725157
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
ethyl 3-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzoate
CID 103357703
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione (CID 103725158) is 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCC(C)(O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione?
The InChIKey is DXGRYSMCOKOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-5-16-9(13)8(10(17)14-11(16)18)15-6-4-12(2,19)7-15/h19H,3-7,13H2,1-2H3,(H,14,17,18).
What are the key properties of 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103725158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).