cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone

C15H18FN3O2 — CID 67554778

IUPACcyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone
SMILESO=C(c1cc(O)cc(NC2=NCC(F)CN2)c1)C1CCC1
InChIInChI=1S/C15H18FN3O2/c16-11-7-17-15(18-8-11)19-12-4-10(5-13(20)6-12)14(21)9-2-1-3-9/h4-6,9,11,20H,1-3,7-8H2,(H2,17,18,19)
InChIKeyNFYOSWZHYOWGGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.08
Rot. Bonds3

About cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone

cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone (PubChem CID 67554778) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone
PubChem CID67554778
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Namecyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone
SMILESO=C(c1cc(O)cc(NC2=NCC(F)CN2)c1)C1CCC1
InChIInChI=1S/C15H18FN3O2/c16-11-7-17-15(18-8-11)19-12-4-10(5-13(20)6-12)14(21)9-2-1-3-9/h4-6,9,11,20H,1-3,7-8H2,(H2,17,18,19)
InChIKeyNFYOSWZHYOWGGT-UHFFFAOYSA-N
XLogP2.08
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone?
The IUPAC name of cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone (CID 67554778) is cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone.
What is the SMILES notation for cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone?
The canonical SMILES for cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone is O=C(c1cc(O)cc(NC2=NCC(F)CN2)c1)C1CCC1.
What is the InChIKey of cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone?
The InChIKey is NFYOSWZHYOWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-11-7-17-15(18-8-11)19-12-4-10(5-13(20)6-12)14(21)9-2-1-3-9/h4-6,9,11,20H,1-3,7-8H2,(H2,17,18,19).
What are the key properties of cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone?
cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone has a molecular weight of 291.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-5-hydroxyphenyl]methanone is sourced from PubChem (CID 67554778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).