4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate

C7H13FN4O2 — CID 22155156

IUPAC4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate
SMILESCN(C)Cn1cc(F)c(N)nc1=O.O
InChIInChI=1S/C7H11FN4O.H2O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13;/h3H,4H2,1-2H3,(H2,9,10,13);1H2
InChIKeyUTRLYUNCYJMDNA-UHFFFAOYSA-N
MW204.21 g/mol
LogP-1.34
Rot. Bonds2

About 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate

4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate (PubChem CID 22155156) has the molecular formula C7H13FN4O2 and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate.

Molecular Properties

Compound Name4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate
PubChem CID22155156
Molecular FormulaC7H13FN4O2
Molecular Weight204.21 g/mol
Exact Mass204.10
IUPAC Name4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate
SMILESCN(C)Cn1cc(F)c(N)nc1=O.O
InChIInChI=1S/C7H11FN4O.H2O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13;/h3H,4H2,1-2H3,(H2,9,10,13);1H2
InChIKeyUTRLYUNCYJMDNA-UHFFFAOYSA-N
XLogP-1.34
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-fluoro-1-methylpyrimidin-2(1H)-one
CID 255391
4-Amino-1-ethyl-5-fluoropyrimidin-2-one
CID 58166397
1-[(Dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one
CID 58166429
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017
4-Amino-1-(1-aminoethyl)-5-fluoropyrimidin-2-one
CID 148673638
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 174607105
4-Amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one
CID 22155148
4-Amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one
CID 22155152
4-Amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one;hydrate
CID 22155151
4-Amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate
CID 22155153
4-Amino-5-fluoro-1-methylpyrimidin-2-one;ethane
CID 141991940
4-amino-5-fluoro-1-methylpyrimidin-2-one;6-amino-5-fluoro-1H-pyrimidin-2-one
CID 159047602

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate?
The IUPAC name of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate (CID 22155156) is 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate.
What is the SMILES notation for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate?
The canonical SMILES for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate is CN(C)Cn1cc(F)c(N)nc1=O.O.
What is the InChIKey of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate?
The InChIKey is UTRLYUNCYJMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O.H2O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13;/h3H,4H2,1-2H3,(H2,9,10,13);1H2.
What are the key properties of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate?
4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate has a molecular weight of 204.21 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one;hydrate is sourced from PubChem (CID 22155156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).