(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea

C6H7FN4O3 — CID 70581549

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
SMILESNC(=O)NCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H7FN4O3/c7-3-1-11(2-9-5(8)13)6(14)10-4(3)12/h1H,2H2,(H3,8,9,13)(H,10,12,14)
InChIKeyLFHQEHMNBCHVAD-UHFFFAOYSA-N
MW202.15 g/mol
LogP-1.70
Rot. Bonds2

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea

(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea (PubChem CID 70581549) has the molecular formula C6H7FN4O3 and a molecular weight of 202.15 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
PubChem CID70581549
Molecular FormulaC6H7FN4O3
Molecular Weight202.15 g/mol
Exact Mass202.05
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
SMILESNC(=O)NCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H7FN4O3/c7-3-1-11(2-9-5(8)13)6(14)10-4(3)12/h1H,2H2,(H3,8,9,13)(H,10,12,14)
InChIKeyLFHQEHMNBCHVAD-UHFFFAOYSA-N
XLogP-1.70
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
(2,5-dioxopyrrolidin-1-yl) 3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methylcarbamoyloxy]propanoate
CID 138748356
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121
5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
CID 107507774
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813
4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanethioamide
CID 63559003
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63579069
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578904
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea (CID 70581549) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea is NC(=O)NCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea?
The InChIKey is LFHQEHMNBCHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN4O3/c7-3-1-11(2-9-5(8)13)6(14)10-4(3)12/h1H,2H2,(H3,8,9,13)(H,10,12,14).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea has a molecular weight of 202.15 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea is sourced from PubChem (CID 70581549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).