2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol

C17H15FN4O — CID 142680327

IUPAC2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
SMILESCc1ccc(Nc2ccc(O)c(-c3ccnc(N)n3)c2)cc1F
InChIInChI=1S/C17H15FN4O/c1-10-2-3-12(9-14(10)18)21-11-4-5-16(23)13(8-11)15-6-7-20-17(19)22-15/h2-9,21,23H,1H3,(H2,19,20,22)
InChIKeyZUDWYZYBKWTTQX-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol

2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol (PubChem CID 142680327) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
PubChem CID142680327
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
SMILESCc1ccc(Nc2ccc(O)c(-c3ccnc(N)n3)c2)cc1F
InChIInChI=1S/C17H15FN4O/c1-10-2-3-12(9-14(10)18)21-11-4-5-16(23)13(8-11)15-6-7-20-17(19)22-15/h2-9,21,23H,1H3,(H2,19,20,22)
InChIKeyZUDWYZYBKWTTQX-UHFFFAOYSA-N
XLogP3.62
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-fluoroanilino)-2-(2-aminopyrimidin-4-yl)phenol
CID 164863272
2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
1-N'-[4-[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-3-methylphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 171466105
2-(2-aminopyrimidin-4-yl)-4-(4-hydroxyphenyl)phenol
CID 135482277
5-[[2-(3-fluoro-4-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 44532553
2-(2-amino-6-anilinopyrimidin-4-yl)-4-(2-fluoro-4-methylanilino)phenol
CID 142680330
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
CID 135517331
N-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 53414490
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
2-[2-amino-6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-4-(2-fluoro-4-methylanilino)phenol
CID 142680334

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol (CID 142680327) is 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol is Cc1ccc(Nc2ccc(O)c(-c3ccnc(N)n3)c2)cc1F.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol?
The InChIKey is ZUDWYZYBKWTTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-2-3-12(9-14(10)18)21-11-4-5-16(23)13(8-11)15-6-7-20-17(19)22-15/h2-9,21,23H,1H3,(H2,19,20,22).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol?
2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol has a molecular weight of 310.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol is sourced from PubChem (CID 142680327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).