[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C18H13ClFN3O2 — CID 135430566

IUPAC[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(Cl)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C18H13ClFN3O2/c1-9-2-4-11(13(20)6-9)17(25)10-3-5-15(24)12(7-10)14-8-16(19)23-18(21)22-14/h2-8,24H,1H3,(H2,21,22,23)
InChIKeyUICCXZXIJXSAEL-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.76
Rot. Bonds3

About [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 135430566) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID135430566
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(Cl)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C18H13ClFN3O2/c1-9-2-4-11(13(20)6-9)17(25)10-3-5-15(24)12(7-10)14-8-16(19)23-18(21)22-14/h2-8,24H,1H3,(H2,21,22,23)
InChIKeyUICCXZXIJXSAEL-UHFFFAOYSA-N
XLogP3.76
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Amino-6-(4-chlorophenyl)-4-pyrimidinyl]-4-fluorophenol
CID 135966544
[3-(2-Amino-6-chloropyrimidin-4-yl)-4-phenylmethoxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 88046759
[3-[2-Amino-6-(4-hydroxybutyl)pyrimidin-4-yl]-4-phenylmethoxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 91454591
[3-[2-Amino-6-(aziridin-1-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135401115
[3-[2-Amino-6-(3-hydroxypropoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135401175
[3-[2-Amino-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135404957
[3-(2-Aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluorophenyl)methanone
CID 135412826
[3-(2-Aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2,4-difluorophenyl)methanone
CID 135412853
[3-[2-Amino-6-(2-methoxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135430653
[3-[2-Amino-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135430742
(4-Chloro-2-fluorophenyl)-[4-hydroxy-3-[2-(methylamino)pyrimidin-4-yl]phenyl]methanone
CID 135433975
[3-(2-Aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135444577

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 135430566) is [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3cc(Cl)nc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is UICCXZXIJXSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-9-2-4-11(13(20)6-9)17(25)10-3-5-15(24)12(7-10)14-8-16(19)23-18(21)22-14/h2-8,24H,1H3,(H2,21,22,23).
What are the key properties of [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 357.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-chloropyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 135430566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).