1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C9H14FN3O3 — CID 112598518

IUPAC1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCN(C)CCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O3/c1-12(2)4-3-5-13-8(15)6(10)7(14)11-9(13)16/h15H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyYTLMZRKMNAWNLF-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.67
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598518) has the molecular formula C9H14FN3O3 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598518
Molecular FormulaC9H14FN3O3
Molecular Weight231.23 g/mol
Exact Mass231.10
IUPAC Name1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCN(C)CCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O3/c1-12(2)4-3-5-13-8(15)6(10)7(14)11-9(13)16/h15H,3-5H2,1-2H3,(H,11,14,16)
InChIKeyYTLMZRKMNAWNLF-UHFFFAOYSA-N
XLogP-0.67
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Butyl-5-fluorouracil
CID 13061632
6-Hydroxy-1,5-dimethylpyrimidine-2,4-dione
CID 54540498
5-Fluoro-1-propylpyrimidine-2,4-dione
CID 14118340
1,3-Dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 91396299
5-Fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione
CID 112598782
6-amino-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 144763322
5-fluoro-6-[methyl-[3-(methylamino)propyl]amino]-1H-pyrimidine-2,4-dione
CID 156285495
5-Fluoro-1-[3-(methylamino)propyl]pyrimidine-2,4-dione
CID 63557006
5-Fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 83872925
6-chloro-3-[3-(dimethylamino)propyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 104370368
6-chloro-3-[3-(diethylamino)propyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 104370422
5-Fluoro-6-hydroxy-1-[(1-methylcyclopropyl)methyl]pyrimidine-2,4-dione
CID 105715611

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598518) is 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is CN(C)CCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is YTLMZRKMNAWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3/c1-12(2)4-3-5-13-8(15)6(10)7(14)11-9(13)16/h15H,3-5H2,1-2H3,(H,11,14,16).
What are the key properties of 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 231.23 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).