1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

C12H21N3O3 — CID 112598583

IUPAC1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCN(CC)CCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-4-14(5-2)7-6-8-15-11(17)9(3)10(16)13-12(15)18/h17H,4-8H2,1-3H3,(H,13,16,18)
InChIKeyGMPAVNOMZAGMNM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.28
Rot. Bonds6

About 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112598583) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112598583
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCN(CC)CCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-4-14(5-2)7-6-8-15-11(17)9(3)10(16)13-12(15)18/h17H,4-8H2,1-3H3,(H,13,16,18)
InChIKeyGMPAVNOMZAGMNM-UHFFFAOYSA-N
XLogP0.28
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
1-butyl-5-[N-[2-(diethylamino)ethylamino]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3662259
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
N-[3-(diethylamino)propyl]-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 110476311

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112598583) is 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is CCN(CC)CCCn1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is GMPAVNOMZAGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-14(5-2)7-6-8-15-11(17)9(3)10(16)13-12(15)18/h17H,4-8H2,1-3H3,(H,13,16,18).
What are the key properties of 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112598583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).