4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol

C24H28FN5O — CID 142680289

IUPAC4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol
SMILESCc1ccc(Nc2ccc(O)c(-c3ccnc(NCCN4CCCCC4)n3)c2)c(F)c1
InChIInChI=1S/C24H28FN5O/c1-17-5-7-22(20(25)15-17)28-18-6-8-23(31)19(16-18)21-9-10-26-24(29-21)27-11-14-30-12-3-2-4-13-30/h5-10,15-16,28,31H,2-4,11-14H2,1H3,(H,26,27,29)
InChIKeyQGKFIDMDZCISSC-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.94
Rot. Bonds7

About 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol

4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol (PubChem CID 142680289) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol
PubChem CID142680289
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol
SMILESCc1ccc(Nc2ccc(O)c(-c3ccnc(NCCN4CCCCC4)n3)c2)c(F)c1
InChIInChI=1S/C24H28FN5O/c1-17-5-7-22(20(25)15-17)28-18-6-8-23(31)19(16-18)21-9-10-26-24(29-21)27-11-14-30-12-3-2-4-13-30/h5-10,15-16,28,31H,2-4,11-14H2,1H3,(H,26,27,29)
InChIKeyQGKFIDMDZCISSC-UHFFFAOYSA-N
XLogP4.94
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]-4-(2-fluoro-4-methylanilino)phenol
CID 142680292
2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
2-(2-amino-6-anilinopyrimidin-4-yl)-4-(2-fluoro-4-methylanilino)phenol
CID 142680330
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
2-[2-amino-6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-4-(2-fluoro-4-methylanilino)phenol
CID 142680334
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
2-(2-aminopyrimidin-4-yl)-4-(3-fluoro-4-methylanilino)phenol
CID 142680327
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
CID 91294272

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol (CID 142680289) is 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol is Cc1ccc(Nc2ccc(O)c(-c3ccnc(NCCN4CCCCC4)n3)c2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol?
The InChIKey is QGKFIDMDZCISSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-17-5-7-22(20(25)15-17)28-18-6-8-23(31)19(16-18)21-9-10-26-24(29-21)27-11-14-30-12-3-2-4-13-30/h5-10,15-16,28,31H,2-4,11-14H2,1H3,(H,26,27,29).
What are the key properties of 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol?
4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol has a molecular weight of 421.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 142680289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).