4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol

C12H12FN3O — CID 136813753

IUPAC4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
SMILESCCNc1ccnc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-2-14-11-5-6-15-12(16-11)8-3-4-10(17)9(13)7-8/h3-7,17H,2H2,1H3,(H,14,15,16)
InChIKeyMTGIHVMXWYWZEB-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.42
Rot. Bonds3

About 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol

4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol (PubChem CID 136813753) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
PubChem CID136813753
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
SMILESCCNc1ccnc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-2-14-11-5-6-15-12(16-11)8-3-4-10(17)9(13)7-8/h3-7,17H,2H2,1H3,(H,14,15,16)
InChIKeyMTGIHVMXWYWZEB-UHFFFAOYSA-N
XLogP2.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 82801474
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 62201542
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
2-[4-[(dimethylamino)methyl]phenyl]-N-ethylpyrimidin-4-amine
CID 74234866
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
CID 136813751
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
4-(ethylamino)-2-fluorophenol
CID 64793889
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
CID 136927532
6-tert-butyl-2-(3,4-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63485589
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol?
The IUPAC name of 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol (CID 136813753) is 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol is CCNc1ccnc(-c2ccc(O)c(F)c2)n1.
What is the InChIKey of 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol?
The InChIKey is MTGIHVMXWYWZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-14-11-5-6-15-12(16-11)8-3-4-10(17)9(13)7-8/h3-7,17H,2H2,1H3,(H,14,15,16).
What are the key properties of 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol?
4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol has a molecular weight of 233.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol is sourced from PubChem (CID 136813753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).