[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea

C7H12FN5O2 — CID 158689468

IUPAC[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCN[C@]1(CF)CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C7H12FN5O2/c1-10-7(2-8)3-11-6(12-4(7)14)13-5(9)15/h10H,2-3H2,1H3,(H4,9,11,12,13,14,15)/t7-/m1/s1
InChIKeyAWOZVLCVCFWQEU-SSDOTTSWSA-N
MW217.20 g/mol
LogP-1.93
Rot. Bonds2

About [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea

[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (PubChem CID 158689468) has the molecular formula C7H12FN5O2 and a molecular weight of 217.20 g/mol. Its IUPAC name is [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.

Molecular Properties

Compound Name[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
PubChem CID158689468
Molecular FormulaC7H12FN5O2
Molecular Weight217.20 g/mol
Exact Mass217.10
IUPAC Name[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCN[C@]1(CF)CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C7H12FN5O2/c1-10-7(2-8)3-11-6(12-4(7)14)13-5(9)15/h10H,2-3H2,1H3,(H4,9,11,12,13,14,15)/t7-/m1/s1
InChIKeyAWOZVLCVCFWQEU-SSDOTTSWSA-N
XLogP-1.93
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The IUPAC name of [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (CID 158689468) is [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.
What is the SMILES notation for [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The canonical SMILES for [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is CN[C@]1(CF)CN=C(NC(N)=O)NC1=O.
What is the InChIKey of [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The InChIKey is AWOZVLCVCFWQEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FN5O2/c1-10-7(2-8)3-11-6(12-4(7)14)13-5(9)15/h10H,2-3H2,1H3,(H4,9,11,12,13,14,15)/t7-/m1/s1.
What are the key properties of [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
[(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea has a molecular weight of 217.20 g/mol, XLogP of -1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(fluoromethyl)-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is sourced from PubChem (CID 158689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).