6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione

C11H20N4O3 — CID 110931812

IUPAC6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-3-15-9(12)8(10(17)13-11(15)18)14(2)6-4-5-7-16/h16H,3-7,12H2,1-2H3,(H,13,17,18)
InChIKeyMDKFDUOENZVRRU-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.65
Rot. Bonds6

About 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione (PubChem CID 110931812) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
PubChem CID110931812
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-3-15-9(12)8(10(17)13-11(15)18)14(2)6-4-5-7-16/h16H,3-7,12H2,1-2H3,(H,13,17,18)
InChIKeyMDKFDUOENZVRRU-UHFFFAOYSA-N
XLogP-0.65
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 114952196
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
CID 110923166
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
CID 61146393
6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
CID 4962458
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648892
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione (CID 110931812) is 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione is CCn1c(N)c(N(C)CCCCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione?
The InChIKey is MDKFDUOENZVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-15-9(12)8(10(17)13-11(15)18)14(2)6-4-5-7-16/h16H,3-7,12H2,1-2H3,(H,13,17,18).
What are the key properties of 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 110931812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).