2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

C19H17FN4O2 — CID 74237551

IUPAC2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C19H17FN4O2/c20-16-9-5-4-8-15(16)17(25)12-21-18(26)13-10-22-19(23-11-13)24-14-6-2-1-3-7-14/h1-11,17,25H,12H2,(H,21,26)(H,22,23,24)
InChIKeyFZBQAIZSXDANOU-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.82
Rot. Bonds6

About 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (PubChem CID 74237551) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
PubChem CID74237551
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C19H17FN4O2/c20-16-9-5-4-8-15(16)17(25)12-21-18(26)13-10-22-19(23-11-13)24-14-6-2-1-3-7-14/h1-11,17,25H,12H2,(H,21,26)(H,22,23,24)
InChIKeyFZBQAIZSXDANOU-UHFFFAOYSA-N
XLogP2.82
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 111565960
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (CID 74237551) is 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is O=C(NCC(O)c1ccccc1F)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The InChIKey is FZBQAIZSXDANOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-9-5-4-8-15(16)17(25)12-21-18(26)13-10-22-19(23-11-13)24-14-6-2-1-3-7-14/h1-11,17,25H,12H2,(H,21,26)(H,22,23,24).
What are the key properties of 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74237551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).